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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
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#6414
Os(2)
donors: {"N": 4}
CCCCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](OC(=O)CCCCCC)[C@@H](OC(=O)CCCCCC)[C@@H]1OC(=O)CCCCCC.Cc1ccc(C(C)C)cc...
1 meas.
MOL
3D
#6413
Os(2)
donors: {"N": 4}
CCCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](OC(=O)CCCCC)[C@@H](OC(=O)CCCCC)[C@@H]1OC(=O)CCCCC.Cc1ccc(C(C)C)cc1.[C...
1 meas.
MOL
3D
#6412
Os(2)
donors: {"N": 4}
CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#6411
Os(2)
donors: {"N": 4}
CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#6410
Os(2)
donors: {"N": 6}
COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#6409
Os(2)
donors: {"O": 1}
CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#6408
Os(2)
donors: {"O": 1}
CC1=C([O-])C(=O)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6407
Os(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=C(OC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1...
4 meas.
MOL
3D
#6406
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](c2nnc(-c3ccccn3)o2)OC[C@H]1OC(=O)c1ccccc1)c1ccccc1.[Cl-]
4 meas.
MOL
3D
#6405
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(OC[C@H]1O[C@@H](c2nnc(-c3ccccn3)o2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)...
4 meas.
MOL
3D
#6404
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(OC[C@H]1O[C@@H](c2nnc(-c3ccccn3)o2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1...
3 meas.
MOL
3D
#6403
Os(2)
donors: {"O": 2, "N": 2}
CC1=C([O-])C([O-])(n2cc(C)cn2)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#6402
Os(2)
donors: {"O": 2, "N": 2}
CC1=C([O-])C([O-])(n2ncc3ccccc32)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#6401
Os(2)
donors: {"O": 2, "N": 2}
CC1=C([O-])C([O-])(n2cccn2)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#6400
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].c1cnc2c(c1)ccc1cccnc12
10 meas.
MOL
3D
#6399
Os(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=C(NCCN1CCOCC1)c1cc2cccnc2c2ncccc12.[Cl-]
4 meas.
MOL
3D
#6398
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.NCCN1CCOCC1.[Cl-]
4 meas.
MOL
3D
#6397
Os(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.O=C(CCCC[C@H]1SC[C@H]2N=C(O)N[C@H]21)NCCCCCCOC(=O)c1cc2cccnc2c2ncccc12.[Cl-]
4 meas.
MOL
3D
#6396
Os(2)
donors: {"N": 1, "O": 1}
COC1=Cc2ccnc3c([O-])c4cc(OC)c(OC)cc4c(c23)C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6395
Os(2)
donors: {"N": 1, "O": 1}
COC1=C(Br)c2ccnc3c([O-])c4cc(OC)c(OC)cc4c(c23)C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6394
Os(2)
donors: {"N": 1, "O": 1}
COC1=C(Cl)c2ccnc3c([O-])c4cc(OC)c(OC)cc4c(c23)C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6393
Os(2)
donors: {"N": 4, "P": 1, "O": 2}
C1N2CN3CN1CP3C2.CNC(=O)CCc1ccc(C)cc1.O=C([O-])C(=O)[O-]
1 meas.
MOL
3D
#6392
Os(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.CCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)C=C([O-])/C=C/c2ccc(OC(=O)CCCCCCCCCCCCCCC)cc2)cc1.Cc1ccc(C(C)C)c...
3 meas.
MOL
3D
#6391
Os(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.CCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)C=C([O-])/C=C/c2ccc(OC(=O)CCCCCCCCCCCCCCC)c(OC)c2)cc1OC.Cc1ccc(C...
3 meas.
MOL
3D
#6390
Os(2)
donors: {"O": 1}
CCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)C=C([O-])/C=C/c2ccc(OC(=O)CCCCCCCCCCCCCCC)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6389
Os(2)
donors: {"O": 1}
CCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)C=C([O-])/C=C/c2ccc(OC(=O)CCCCCCCCCCCCCCC)c(OC)c2)cc1OC.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6388
Os(2)
donors: {"O": 1}
CCOc1ccc(C([O-])=CC(=S)SC)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#6387
Os(2)
donors: {"O": 1}
CCOc1cccc(C([O-])=CC(=S)SC)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#6386
Os(2)
donors: {"O": 1}
COc1cccc(C([O-])=CC(=S)SC)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#6385
Os(2)
donors: {"O": 1}
CSC(=S)C=C([O-])c1cccc(O)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#6384
Os(2)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#6383
Os(2)
donors: {"N": 5}
CC#N.CC#N.[c-]1ccccc1-c1ccccn1.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#6382
Re(1)
donors: {"O": 3, "N": 5}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1ccc(-c2cn(CCCCOc3ccccc3-c3nc4ccccc4s3)nn2)nc1
4 meas.
MOL
3D
#6381
Re(1)
donors: {"O": 3, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1cc2ccc3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c4ccc(c1)c2c34
2 meas.
MOL
3D
#6380
Re(1)
donors: {"N": 1, "P": 1, "O": 3}
CSc1ccccc1C(=O)[N-]c1ccccc1P(=S)(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6379
Re(1)
donors: {"N": 1, "P": 1, "O": 3}
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1SCC(=O)[N-]c1ccccc1P(=S)(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6378
Re(1)
donors: {"N": 1, "P": 1, "O": 3}
O=C(CSc1ccccc1)[N-]c1ccccc1P(=S)(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6377
Re(1)
donors: {"O": 1, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1ccc(Cn2nnnc2-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cn2)cc1
2 meas.
MOL
3D
#6376
Re(1)
donors: {"O": 3, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1ccc(-c2ccc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc3)cc2)cc1
2 meas.
MOL
3D
#6375
Re(1)
donors: {"N": 5, "O": 3}
Cc1cccc2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c(Cl)nc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
2 meas.
MOL
3D
#6374
Re(1)
donors: {"O": 4, "N": 4}
O=[N+]([O-])c1cc(Br)c(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
2 meas.
MOL
3D
#6373
Re(1)
donors: {"N": 4, "O": 3}
Oc1c(Cl)cc(Cl)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
2 meas.
MOL
3D
#6372
Re(5)
donors: {"N": 2, "O": 2}
Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.[Cl-].[O-2].[O-]CC[O-]
8 meas.
MOL
3D
#6371
Re(5)
donors: {"O": 2, "N": 2}
[Cl-].[O-2].[O-]CC[O-].c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#6370
Re(5)
donors: {"O": 2, "N": 2}
[Cl-].[O-2].[O-]CC[O-].c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#6369
Re(1)
donors: {"O": 3, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[NH3+]CCCCN(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1
2 meas.
MOL
3D
#6368
Re(1)
donors: {"N": 3, "O": 3}
O=C(O)CCCCN(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
2 meas.
MOL
3D
#6367
Re(1)
donors: {"N": 4, "O": 3}
NCCCCN(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
2 meas.
MOL
3D
#6366
Re(1)
donors: {"O": 3, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].c1c[nH]cn1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#6365
Re(1)
donors: {"N": 4, "O": 3}
C#Cc1cncn1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
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61/189 (9414 total)