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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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#6264
Re(1)
donors: {"N": 3, "O": 4}
CCC(C)C(NC(C)=O)C(=O)[O-].C[n+]1[c-]n(-c2ccccn2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6263
Re(1)
donors: {"N": 4, "O": 1}
NC(=[NH2+])Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1c[nH]cn1
5 meas.
MOL
3D
#6262
Re(1)
donors: {"N": 4, "O": 1}
NC(=[NH2+])Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccncc1
5 meas.
MOL
3D
#6261
Re(1)
donors: {"N": 4, "O": 1}
NC(=[NH2+])Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
5 meas.
MOL
3D
#6260
Re(1)
donors: {"N": 4, "O": 1}
N#Cc1c(-n2cc(-c3ccccn3)nn2)c2ccccc2n2c1nc1ccccc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
3 meas.
MOL
3D
#6259
Re(1)
donors: {"N": 4, "O": 3}
COC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OCc3cn(Cc4ccccn4)nn3)ccc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
2 meas.
MOL
3D
#6258
Re(1)
donors: {"N": 4, "O": 3}
NCc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
MOL
3D
#6257
Re(1)
donors: {"N": 3, "O": 3}
ClCc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
MOL
3D
#6256
Re(1)
donors: {"N": 3, "O": 3}
OCc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
MOL
3D
#6255
Re(1)
donors: {"O": 3, "N": 3}
[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccncc1
4 meas.
MOL
3D
#6254
Re(1)
donors: {"N": 4, "O": 3}
NCc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#6253
Re(1)
donors: {"N": 3, "O": 3}
ClCc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#6252
Re(1)
donors: {"N": 3, "O": 3}
OCc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#6251
Re(1)
donors: {"N": 2, "O": 3}
CCCCn1[c-][n+](-c2ccccn2)cc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6250
Re(1)
donors: {"N": 4, "O": 3}
COc1ccc2c(c1)c(CC(=O)NCCCn1[c-][n+](-c3ccccn3)cc1)c(C)n2C(=O)c1ccc(Cl)cc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6249
Re(1)
donors: {"N": 3, "O": 3}
COc1ccc2c(c1)c(CC(=O)OCCCn1[c-][n+](-c3ccccn3)cc1)c(C)n2C(=O)c1ccc(Cl)cc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
4 meas.
MOL
3D
#6248
Re(1)
donors: {"N": 5, "O": 3}
CCNC(=O)c1ccnc(-c2cc(C)ccn2)c1.Nc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6247
Re(1)
donors: {"N": 5, "O": 3}
CCNC(=O)c1cncc(N)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
1 meas.
MOL
3D
#6246
Re(1)
donors: {"N": 5, "O": 3}
CCNC(=O)c1cncc(N)c1.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6245
Re(1)
donors: {"N": 5, "O": 3}
CCNC(=O)c1cncc(N)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#6244
Re(1)
donors: {"N": 4, "O": 3}
NCCCN(Cc1ccc2ccccc2n1)c1ccc2ccccc2n1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
7 meas.
MOL
3D
#6243
Re(1)
donors: {"O": 2, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc2c(c1)[nH]c1cnccc12.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
1 meas.
MOL
3D
#6242
Re(1)
donors: {"O": 3, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc2c(c1)[nH]c1cnccc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#6241
Re(1)
donors: {"O": 3, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)[nH]c1cnccc12
1 meas.
MOL
3D
#6240
Re(2)
donors: {"O": 3, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)[nH]c1cnccc12
1 meas.
MOL
3D
#6239
Re(1)
donors: {"N": 3, "O": 3}
C1CSCCN1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#6238
Re(1)
donors: {"N": 3, "O": 3}
C1COCCN1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#6237
Re(1)
donors: {"N": 3, "O": 3}
C1CCNCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#6236
Re(1)
donors: {"O": 3, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc2nc(-c3nccc4c3[nH]c3ccccc34)ccc2c1.c1ccncc1
5 meas.
MOL
3D
#6235
Re(1)
donors: {"O": 3, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1.c1ccncc1
5 meas.
MOL
3D
#6234
Re(1)
donors: {"O": 3, "N": 5}
[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccncc1
4 meas.
MOL
3D
#6233
Re(1)
donors: {"O": 3, "N": 3}
[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc2c(c1)c1cccnc1c1ncccc21.c1ccncc1
4 meas.
MOL
3D
#6232
Re(1)
donors: {"N": 5, "O": 3}
CCNC(=S)Nc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
MOL
3D
#6231
Re(1)
donors: {"N": 5, "O": 3}
CCNC(=S)Nc1cccnc1.Cc1cc2ccc3cc(C)c(C)nc3c2nc1C.[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6230
Re(1)
donors: {"N": 5, "O": 3}
CCNC(=S)Nc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#6229
Re(1)
donors: {"N": 4, "O": 1}
OC[C@H]1O[C@H](Oc2ccc(NC(=S)NCCCCCCNC(=S)Nc3cccnc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2...
4 meas.
MOL
3D
#6228
Re(1)
donors: {"N": 4, "O": 1}
Cc1cc2ccc3cc(C)c(C)nc3c2nc1C.OC[C@H]1O[C@H](Oc2ccc(NC(=S)NCCCCCCNC(=S)Nc3cccnc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.[C-]#[O+]....
1 meas.
MOL
3D
#6227
Re(1)
donors: {"N": 4, "O": 1}
OC[C@H]1O[C@H](Oc2ccc(NC(=S)NCCCCCCNC(=S)Nc3cccnc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c...
1 meas.
MOL
3D
#6226
Re(1)
donors: {"N": 4, "O": 1}
CCNC(=S)Nc1cncc(C(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c...
1 meas.
MOL
3D
#6225
Re(1)
donors: {"N": 4, "O": 1}
CCNC(=S)Nc1cncc(C(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1.Cc1cc2ccc3cc(C)c(C)nc3c2nc1C.[C-]#[O+].[C-]#[O+].[C...
1 meas.
MOL
3D
#6224
Re(1)
donors: {"N": 4, "O": 1}
CCNC(=S)Nc1cncc(C(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc1...
1 meas.
MOL
3D
#6223
Re(1)
donors: {"N": 3, "O": 3}
CCCCCCN(CCCCCC)C(=O)N/N=C\c1ccccc1O.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6222
Re(1)
donors: {"N": 3, "O": 3}
O=C(N/N=C\c1ccccc1O)N1c2ccccc2CCc2ccccc21.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6221
Re(1)
donors: {"N": 3, "O": 3}
O=C(N/N=C\c1ccccc1O)N(Cc1ccccc1)Cc1ccccc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6220
Re(1)
donors: {"N": 3, "O": 3}
CCCCN(CCCC)C(=O)N/N=C\c1ccccc1O.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6219
Re(1)
donors: {"N": 3, "O": 3}
O=C(N/N=C\c1ccccc1O)N(c1ccccc1)c1ccccc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6218
Re(1)
donors: {"N": 3, "O": 3}
CN(C(=O)N/N=C\c1ccccc1O)c1ccccc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6217
Re(1)
donors: {"O": 3, "N": 3}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)cc(-c3ccccn3)n2)nc1
3 meas.
MOL
3D
#6216
Re(1)
donors: {"O": 3, "N": 3}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1ccc(-c2cc(-c3c4ccccc4cc4ccccc34)cc(-c3ccccn3)n2)nc1
3 meas.
MOL
3D
#6215
Re(1)
donors: {"O": 3, "N": 3}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
3 meas.
MOL
3D
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64/189 (9414 total)