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complexes
Ir C^N families
cell death map
D-MPNN
Coordination Complexes
9414 complexes in database
9414
Total
4834
Ru
2220
Au
1431
Ir
339
Rh
337
Os
253
Re
Metal
All
Au
Ir
Os
Re
Rh
Ru
Ox. State
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Donor atoms
Has 3D struct
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#6314
Re(1)
donors: {"N": 2, "O": 3}
Cc1ccc2oc(=O)cc(OCCO/N=C/Cc3ccccn3)c2c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
5 meas.
MOL
3D
#6313
Re(1)
donors: {"N": 2, "O": 3}
O=c1cc(OCCO/N=C/Cc2ccccn2)c2cc(Br)ccc2o1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
5 meas.
MOL
3D
#6312
Re(1)
donors: {"N": 2, "O": 3}
O=c1cc(OCCO/N=C/Cc2ccccn2)c2cc(Cl)ccc2o1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
5 meas.
MOL
3D
#6311
Re(1)
donors: {"N": 2, "O": 3}
O=c1cc(OCCO/N=C/Cc2ccccn2)c2ccccc2o1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
5 meas.
MOL
3D
#6310
Re(1)
donors: {"N": 3, "O": 3}
COc1ccc2nc(C(F)(F)F)cc(OCCO/N=C/Cc3ccccn3)c2c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
5 meas.
MOL
3D
#6309
Re(1)
donors: {"N": 3, "O": 3}
Cc1ccc2nc(C(F)(F)F)cc(OCCO/N=C/Cc3ccccn3)c2c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
5 meas.
MOL
3D
#6308
Re(1)
donors: {"N": 3, "O": 3}
FC(F)(F)c1cc(OCCO/N=C/Cc2ccccn2)c2cc(Br)ccc2n1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
5 meas.
MOL
3D
#6307
Re(1)
donors: {"N": 3, "O": 3}
FC(F)(F)c1cc(OCCO/N=C/Cc2ccccn2)c2cc(Cl)ccc2n1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
5 meas.
MOL
3D
#6306
Re(1)
donors: {"N": 3, "O": 3}
FC(F)(F)c1cc(OCCO/N=C/Cc2ccccn2)c2ccccc2n1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
5 meas.
MOL
3D
#6305
Re(1)
donors: {"N": 2, "O": 3, "P": 1}
Cc1ccc(-c2ccc(C)cn2)nc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(P(c2ccccc2)C2CCCCC2)cc1
2 meas.
MOL
3D
#6304
Re(1)
donors: {"N": 2, "O": 3}
COc1ccnc(-c2cc(OC)ccn2)c1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
2 meas.
MOL
3D
#6303
Re(1)
donors: {"O": 3, "N": 2}
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccnc2)c([N+](=O)[O-])c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#6302
Re(1)
donors: {"N": 3, "O": 3}
C1=CC2C(c3ccccc3)=CC=NC2c2nccc(-c3ccccc3)c21.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccncc1
1 meas.
MOL
3D
#6301
Re(1)
donors: {"N": 2, "O": 3}
C1=CC2C(c3ccccc3)=CC=NC2c2nccc(-c3ccccc3)c21.O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccnc2)c([N+](=O)[O-])c1.[C-]#[O+].[C-]#[O+]...
1 meas.
MOL
3D
#6300
Re(1)
donors: {"N": 3, "O": 3}
CC1=C(C)C2C=Cc3c(ncc(C)c3C)C2N=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccncc1
1 meas.
MOL
3D
#6299
Re(1)
donors: {"N": 2, "O": 3}
CC1=C(C)C2C=Cc3c(ncc(C)c3C)C2N=C1.O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccnc2)c([N+](=O)[O-])c1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6298
Re(1)
donors: {"N": 5, "O": 3}
Cc1ccc(S(=O)(=O)NCCNCc2ccnc(-c3cc(C)ccn3)c2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccncc1
1 meas.
MOL
3D
#6297
Re(1)
donors: {"N": 3, "O": 2}
Cc1ccc(S(=O)(=O)NCCNCc2ccnc(-c3cc(C)ccn3)c2)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccnc2)c([N+](=O)[O-])c1.[C-]#[O+].[C-]#[...
1 meas.
MOL
3D
#6296
Re(1)
donors: {"N": 4, "O": 1}
NC(=[NH2+])Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1c[nH]cn1
4 meas.
MOL
3D
#6295
Re(1)
donors: {"N": 4, "O": 1}
NC(=[NH2+])Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccncc1
4 meas.
MOL
3D
#6294
Re(1)
donors: {"N": 4, "O": 1}
NC(=[NH2+])Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
4 meas.
MOL
3D
#6293
Re(1)
donors: {"N": 4, "O": 3}
O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCN(Cc1ccccn1)Cc1ccccn1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6292
Re(1)
donors: {"N": 4, "O": 3}
O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCCCCCN(Cc1ccccn1)Cc1ccccn1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6291
Re(1)
donors: {"N": 2, "P": 1, "O": 3}
O=C([N-]CP(=O)(c1ccccc1)c1ccccc1)C(=S)N1CCOCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6290
Re(1)
donors: {"N": 2, "P": 1, "O": 3}
O=C([N-]c1ccccc1P(=S)(c1ccccc1)c1ccccc1)C(=S)N1CCOCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6289
Re(1)
donors: {"N": 2, "P": 1, "O": 3}
O=C([N-]c1ccccc1P(=O)(c1ccccc1)c1ccccc1)C(=S)N1CCOCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6288
Re(1)
donors: {"N": 3, "O": 3}
NCCNCC[N-]S(=O)(=O)c1ccc2ccccc2c1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
6 meas.
MOL
3D
#6287
Re(1)
donors: {"N": 3, "O": 3}
NCCNCC[N-]S(=O)(=O)c1cccc2ccccc12.[C-]#[O+].[C-]#[O+].[C-]#[O+]
6 meas.
MOL
3D
#6286
Re(1)
donors: {"N": 3, "O": 3}
CCOC(=O)c1ccncc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
3 meas.
MOL
3D
#6285
Re(1)
donors: {"N": 3, "O": 3}
CCOC(=O)c1ccncc1.Clc1ccnc2c1ccc1c(Cl)ccnc12.[C-]#[O+].[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#6284
Re(1)
donors: {"N": 3, "O": 3}
CCOC(=O)c1ccncc1.Cc1ccnc2c1ccc1c(C)ccnc12.[C-]#[O+].[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#6283
Re(1)
donors: {"N": 3, "O": 3}
CCOC(=O)c1ccncc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#6282
Re(1)
donors: {"O": 4, "N": 3, "S": 1}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[NH3+][C@@H](C[S-])C(=O)[O-].c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#6281
Re(1)
donors: {"O": 4, "P": 1}
O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#6280
Re(1)
donors: {"O": 4, "P": 1}
O=c1cccccc1[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#6279
Re(1)
donors: {"N": 3, "P": 1, "O": 4}
C1N2CN3CN1CP(C2)C3.O=c1cccccc1[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
2 meas.
MOL
3D
#6278
Re(1)
donors: {"N": 2, "P": 1, "O": 2}
C1N2CN3CN1CP(C2)C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]c1cccc2cccnc12
2 meas.
MOL
3D
#6277
Re(1)
donors: {"N": 2, "O": 3}
Cc1ccc(/N=C2/C=C(Cl)C=C/C2=N\O)cc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
2 meas.
MOL
3D
#6276
Re(1)
donors: {"N": 2, "O": 3}
O/N=C1\C=CC(Cl)=C\C1=N\c1ccccc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
2 meas.
MOL
3D
#6275
Re(1)
donors: {"N": 2, "O": 3}
O/N=C1/C=CC(Cl)=C/C1=N\c1ccccc1Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
2 meas.
MOL
3D
#6274
Re(1)
donors: {"N": 2, "O": 3}
O/N=C1\C=CC(Cl)=C\C1=N\c1ccc(Cl)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
2 meas.
MOL
3D
#6273
Re(3)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.NC(C(=O)[O-])(c1ccccc1)c1ccccc1.[I-].[N-]=C(c1ccccc1)c1ccccc1
4 meas.
MOL
3D
#6272
Re(5)
donors: {"N": 3, "P": 1, "O": 4}
C1N2CN3CN1CP(C2)C3.O=C([O-])C([O-])(c1ccccc1)c1ccccc1.O=C([O-])C([O-])(c1ccccc1)c1ccccc1.[O-2]
4 meas.
MOL
3D
#6271
Re(3)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.[Br-].[Br-].[N-]=C(c1ccccc1)c1ccccc1
3 meas.
MOL
3D
#6270
Re(3)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.[Cl-].[Cl-].[N-]=C(c1ccccc1)c1ccccc1
3 meas.
MOL
3D
#6269
Re(3)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.[I-].[I-].[N-]=C(c1ccccc1)c1ccccc1
4 meas.
MOL
3D
#6268
Re(1)
donors: {"O": 3, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1ccc2c(-c3ccc4nc5c6cccnc6c6ncccc6c5nc4c3)cccc2c1
1 meas.
MOL
3D
#6267
Re(1)
donors: {"N": 3, "O": 4}
CC(=O)N1CCCC1C(=O)[O-].C[n+]1[c-]n(Cn2[c-][n+](C)cc2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6266
Re(1)
donors: {"N": 3, "O": 4}
CCC(C)C(NC(C)=O)C(=O)[O-].C[n+]1[c-]n(Cn2[c-][n+](C)cc2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6265
Re(1)
donors: {"N": 3, "O": 4}
CC(=O)N1CCCC1C(=O)[O-].C[n+]1[c-]n(-c2ccccn2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
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63/189 (9414 total)