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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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#1214
Ru(2)
donors: {"O": 1, "N": 1}
Cc1c(CC(=O)[O-])c2ccccc2n1C(=O)c1ccc(Cl)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#1213
Ru(2)
donors: {"N": 8}
Oc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#1212
Ru(2)
donors: {"N": 8}
COc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1OC.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#1211
Ru(2)
donors: {"N": 8}
CC(C)(C)c1ccc(-n2c(-c3c(F)c(F)c(F)c(F)c3F)nc3c4cccnc4c4ncccc4c32)cc1.Cc1ccnc2c1ccc1c(C)ccnc12.Cc1ccnc2c1ccc1c(C)ccnc12
2 meas.
MOL
3D
#1210
Ru(2)
donors: {"N": 8}
CC(C)(C)c1ccc(-n2c(-c3c(F)c(F)cc(F)c3F)nc3c4cccnc4c4ncccc4c32)cc1.Cc1ccnc2c1ccc1c(C)ccnc12.Cc1ccnc2c1ccc1c(C)ccnc12
2 meas.
MOL
3D
#1209
Ru(2)
donors: {"N": 8}
CC(C)(C)c1ccc(-n2c(-c3cc(F)c(F)c(F)c3)nc3c4cccnc4c4ncccc4c32)cc1.Cc1ccnc2c1ccc1c(C)ccnc12.Cc1ccnc2c1ccc1c(C)ccnc12
2 meas.
MOL
3D
#1208
Ru(2)
donors: {"N": 8}
CC(C)(C)c1ccc(-n2c(-c3ccc(F)c(F)c3)nc3c4cccnc4c4ncccc4c32)cc1.Cc1ccnc2c1ccc1c(C)ccnc12.Cc1ccnc2c1ccc1c(C)ccnc12
2 meas.
MOL
3D
#1207
Ru(2)
donors: {"N": 8}
CC(C)(C)c1ccc(-n2c(-c3ccc(F)cc3)nc3c4cccnc4c4ncccc4c32)cc1.Cc1ccnc2c1ccc1c(C)ccnc12.Cc1ccnc2c1ccc1c(C)ccnc12
2 meas.
MOL
3D
#1206
Ru(3)
donors: {"N": 3}
[Cl-].[Cl-].[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
17 meas.
MOL
3D
#1205
Ru(2)
donors: {"N": 4, "O": 1}
Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.O=C([O-])c1ccccn1.[Cl-]
3 meas.
MOL
3D
#1204
Ru(2)
donors: {"N": 5}
Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Cl-].c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#1203
Ru(2)
donors: {"N": 5}
Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.NC1CCCCC1N.[Cl-]
6 meas.
MOL
3D
#1202
Ru(2)
donors: {"P": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
10 meas.
MOL
3D
#1201
Ru(2)
donors: {"N": 8}
OCc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#1200
Ru(2)
donors: {"N": 6}
Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
15 meas.
MOL
3D
#1199
Ru(2)
donors: {"N": 6}
Clc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1
5 meas.
MOL
3D
#1198
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(/C=N/N3C(=O)C4=CC=CC5C(N6CCCC6)=CC=C(C3=O)C45)ccn2)c1.[Cl-]
4 meas.
MOL
3D
#1197
Ru(2)
donors: {"N": 2, "O": 1}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2cc(F)ccc2n1.OCCCCc1ccccc1.[Cl-]
2 meas.
MOL
3D
#1196
Ru(2)
donors: {"N": 2, "O": 1}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2cc(F)ccc2n1.OCCCc1ccccc1.[Cl-]
2 meas.
MOL
3D
#1195
Ru(2)
donors: {"N": 2, "O": 1}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2cc(F)ccc2n1.OCCc1ccccc1.[Cl-]
2 meas.
MOL
3D
#1194
Ru(2)
donors: {"O": 2, "N": 6}
O=C(O)c1cc2ccccc2c2ccccc12.c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1.c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1
2 meas.
MOL
3D
#1193
Ru(2)
donors: {"N": 8}
COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.O.O
6 meas.
MOL
3D
#1192
Ru(2)
donors: {"N": 6}
COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.N=C(N)NCCCC1NC(=O)C(CCCCNC(=O)CCCNC(...
6 meas.
MOL
3D
#1191
Ru(2)
donors: {"N": 6}
COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.O=C(O)CCCNC(=O)c1ccc2nc(-c3ccccn3)[n...
6 meas.
MOL
3D
#1190
Ru(2)
donors: {"N": 5}
O.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
1 meas.
MOL
3D
#1189
Ru(2)
donors: {"P": 1, "S": 1, "N": 6}
COc1ccc(P(=S)([S-])N2CCOCC2)cc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
3 meas.
MOL
3D
#1188
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccc2ccccc2c1/C=N/c1cc(Cl)c(Cl)cc1Cl.c1ccccc1
3 meas.
MOL
3D
#1187
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccc2ccccc2c1/C=N/CC1CCCCC1.c1ccccc1
3 meas.
MOL
3D
#1186
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccc2ccccc2c1/C=N/Cc1ccccc1.c1ccccc1
3 meas.
MOL
3D
#1185
Ru(2)
donors: {"N": 1, "O": 1}
CCCCCC/N=C/c1c([O-])ccc2ccccc12.[Cl-].c1ccccc1
3 meas.
MOL
3D
#1184
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccc2ccccc2c1/C=N/c1ccco1.c1ccccc1
3 meas.
MOL
3D
#1183
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(C)ccn2)c1.[Cl-]
6 meas.
MOL
3D
#1182
Ru(2)
donors: {"N": 6}
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C/c1cc2cccnc2c2ncccc12.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#1181
Ru(2)
donors: {"N": 6}
CCNc1cc2c(cc1C)C1(c3cc(C)c(NCC)cc3O2)c2ccccc2C(=O)N1/N=C/c1cc2cccnc2c2ncccc12.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#1180
Ru(2)
donors: {"N": 6}
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C/c1ccnc(-c2cc(C)ccn2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#1179
Ru(2)
donors: {"N": 6}
CCNc1cc2c(cc1C)C1(c3cc(C)c(NCC)cc3O2)c2ccccc2C(=O)N1/N=C/c1ccnc(-c2cc(C)ccn2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#1178
Ru(2)
donors: {"N": 6}
CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1.CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1.CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1
3 meas.
MOL
3D
#1177
Ru(2)
donors: {"O": 3, "N": 2, "As": 2}
[C-]#[O+].[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1176
Ru(3)
donors: {"O": 1, "N": 2, "As": 2}
[Cl-].[Cl-].[O-]/C(=N\N=C/c1c(O)ccc2ccccc12)c1ccccc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1175
Ru(2)
donors: {"O": 3, "N": 2, "P": 2}
[C-]#[O+].[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1174
Ru(3)
donors: {"O": 1, "N": 2, "P": 2}
[Cl-].[Cl-].[O-]/C(=N\N=C/c1c(O)ccc2ccccc12)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1173
Ru(2)
donors: {"N": 8}
[Cl-].c1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)c2c34.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
6 meas.
MOL
3D
#1172
Ru(2)
donors: {"N": 8}
[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2c(c1)c1ccccc1c1nc(-c3cnccn3)nnc21
6 meas.
MOL
3D
#1171
Ru(2)
donors: {"N": 8}
[Cl-].c1cc2c3c(cccc3c1)-c1nc(-c3cnccn3)nnc1-2.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
6 meas.
MOL
3D
#1170
Ru(2)
donors: {"N": 5}
[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1
12 meas.
MOL
3D
#1169
Ru(2)
donors: {"N": 6}
CC(C)(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(C(C)(C)C)...
8 meas.
MOL
3D
#1168
Ru(2)
donors: {"N": 6}
CC(C)(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(C(C)(C)C)...
8 meas.
MOL
3D
#1167
Ru(2)
donors: {"N": 6}
C1=CNc2cc(-c3ccc4nc5c6cccnc6c6ncccc6c5nc4c3)ccc2N1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
5 meas.
MOL
3D
#1166
Ru(2)
donors: {"N": 6}
C1=CNc2cc(-c3ccc4nc5c6cccnc6c6ncccc6c5nc4c3)ccc2N1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#1165
Ru(2)
donors: {"N": 6}
C1=CNc2cc(-c3ccc4nc5c6cccnc6c6ncccc6c5nc4c3)ccc2N1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
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165/189 (9414 total)