home
complexes
cell death map
D-MPNN
Coordination Complexes
7058 complexes in database
7058
Total
4834
Ru
1295
Ir
339
Rh
337
Os
253
Re
Metal
All
Ir
Os
Re
Rh
Ru
Ox. State
All
1
2
3
4
5
Donor atoms
Has 3D struct
Any
Yes
Search (ID / SMILES)
Sort
ID ↑
ID ↓
Measurements ↓
Per page
50
100
500
Apply
Reset
#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
#6364
Re(1)
donors: {"N": 3, "O": 3}
C#Cc1ccccn1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#6363
Re(2)
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
#6362
Re(2)
donors: {"N": 4, "O": 2}
CCNC(=S)Nc1cncc(C(=O)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cc...
1 meas.
MOL
3D
#6361
Re(2)
donors: {"N": 5, "O": 3}
Nc1cncc(C(=O)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccn...
1 meas.
MOL
3D
#6360
Re(2)
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
#6359
Re(2)
donors: {"N": 4, "O": 2}
CCNC(=S)Nc1cncc(C(=O)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.[C-...
1 meas.
MOL
3D
«
‹
11
12
13
14
15
16
17
›
»
14/142 (7058 total)