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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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#2664
Ru(2)
donors: {"O": 2, "N": 2, "P": 2}
[C-]#[O+].[O-]c1ccc(-c2ccccc2)cc1/N=N/c1[c-]cccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2663
Ru(2)
donors: {"O": 2, "N": 2, "P": 2}
[C-]#[O+].[O-]c1ccc2ccccc2c1/N=N/c1[c-]cccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2662
Ru(2)
donors: {"N": 7}
C[C@H](CCC(=O)Nc1cc2cccnc2c2ncccc12)C1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1C[C@H]3O.c1ccc(-c2ccnc3c2ccc2c(-c...
3 meas.
MOL
3D
#2661
Ru(2)
donors: {"N": 7}
C[C@H](CCC(=O)Nc1cc2cccnc2c2ncccc12)C1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1C[C@H]3O.c1cnc2c(c1)ccc1cccnc12.c...
3 meas.
MOL
3D
#2660
Ru(2)
donors: {"N": 7}
C[C@H](CCC(=O)Nc1cc2cccnc2c2ncccc12)C1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1C[C@H]3O.c1ccc(-c2ccccn2)nc1.c1cc...
3 meas.
MOL
3D
#2659
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1C(F)(F)F.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#2658
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1C(F)(F)F.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2657
Ru(2)
donors: {"N": 7, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
2 meas.
MOL
3D
#2656
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
2 meas.
MOL
3D
#2655
Ru(2)
donors: {"O": 3, "N": 3}
O=S(=O)([O-])c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)[O-])cc4)ccnc23)cc1.O=S(=O)([O-])c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=...
3 meas.
MOL
3D
#2654
Ru(2)
donors: {"N": 7}
c1cnc2c(c1)c1ncc3c(c1c1cccnc12)CCCC3.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#2653
Ru(2)
donors: {"N": 7}
c1cnc2c(c1)c1ncc3c(c1c1cccnc12)CCC3.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#2652
Ru(2)
donors: {"N": 7}
c1cnc2c(c1)c1cccnc1c1ncccc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#2651
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#2650
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2649
Ru(2)
donors: {"N": 2}
COC(=O)c1cc(-c2ccccn2)nc2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2648
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(O)c1cc(-c2ccccn2)nc2ccccc12.[Cl-]
2 meas.
MOL
3D
#2647
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.OCc1cc(-c2ccccn2)nc2ccccc12.[Cl-]
2 meas.
MOL
3D
#2646
Ru(2)
donors: {"N": 3}
Cc1c(C)c(C)c(C[n+]2ccn(-c3cc4cccnc4c4ncccc34)c2)c(C)c1C.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2645
Ru(2)
donors: {"N": 3}
Cc1cc(C)c(C[n+]2ccn(-c3cc4cccnc4c4ncccc34)c2)c(C)c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2644
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(C[n+]2ccn(-c3cc4cccnc4c4ncccc34)c2)cc1
3 meas.
MOL
3D
#2643
Ru(2)
donors: {"N": 3}
CCCCCCCCCCCC[n+]1ccn(-c2cc3cccnc3c3ncccc23)c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2642
Ru(2)
donors: {"N": 3}
CCCCCCCC[n+]1ccn(-c2cc3cccnc3c3ncccc23)c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2641
Ru(2)
donors: {"N": 3}
CCCC[n+]1ccn(-c2cc3cccnc3c3ncccc23)c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2640
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1cnc2c(c1)cc(-n1ccnc1)c1cccnc12
3 meas.
MOL
3D
#2639
Ru(2)
donors: {"N": 8}
CN(C)NC(=O)CCC(=O)OCc1ccnc(-c2cc(CO)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)c...
5 meas.
MOL
3D
#2638
Ru(2)
donors: {"N": 8}
CN(C)NC(=O)CCC(=O)OCc1ccnc(-c2cc(CO)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2637
Ru(2)
donors: {"N": 2}
COc1cc(/N=C/c2ccccn2)cc(OC)c1OC.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#2636
Ru(2)
donors: {"N": 1, "O": 1}
COc1cc(/N=C/c2c([O-])ccc3ccccc23)cc(OC)c1OC.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#2635
Ru(2)
donors: {"N": 4, "O": 1}
Cc1ccnc(-c2cc(CCC#Cc3ccc(/C=N/NC(N)=O)nc3)ccn2)c1.O=S(=O)([O-])c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)[O-])cc4)ccnc23)cc1...
2 meas.
MOL
3D
#2634
Ru(2)
donors: {"N": 6}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.Cc1ccnc(-c2cc(CCC#Cc3ccc(/C=N/NC(N)=O)nc3)cc...
2 meas.
MOL
3D
#2633
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(CCC#Cc3ccc(/C=N/NC(N)=O)nc3)ccn2)c1
2 meas.
MOL
3D
#2632
Ru(2)
donors: {"N": 6}
Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.c1cnc2c(c1)c1nc[nH]c1c1cccnc12
4 meas.
MOL
3D
#2631
Ru(2)
donors: {"N": 6}
Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2630
Ru(2)
donors: {"N": 2, "P": 2}
[Cl-].[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2629
Ru(2)
donors: {"O": 1, "N": 3, "P": 2}
O=C([O-])c1ccccc1Nc1cccc(C(F)(F)F)c1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2628
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
Cc1c(Cl)cccc1Nc1ccccc1C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2627
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
Cc1cccc(Nc2ccccc2C(=O)[O-])c1C.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2626
Ru(2)
donors: {"O": 1, "N": 3, "P": 2}
O=C([O-])c1ccccc1Nc1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2625
Ru(2)
donors: {"O": 1, "N": 2}
COc1ccc(/C([O-])=C/N=C2/CCCc3c2[nH]c2ccccc32)cc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#2624
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]/C(=C\N=C1\CCCc2c1[nH]c1ccccc21)c1ccc(Br)cc1.c1ccccc1
3 meas.
MOL
3D
#2623
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]/C(=C\N=C1\CCCc2c1[nH]c1ccccc21)c1ccccc1.c1ccccc1
3 meas.
MOL
3D
#2622
Ru(2)
donors: {"N": 3, "S": 1, "P": 4}
Nc1ccc2[nH]c([S-])nc2c1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#2621
Ru(2)
donors: {"O": 1, "N": 2, "S": 1, "P": 4}
O=[N+]([O-])c1ccc2[nH]c([S-])nc2c1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#2620
Ru(2)
donors: {"S": 1, "N": 2, "P": 4}
[S-]c1nc2ccccc2[nH]1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#2619
Ru(2)
donors: {"N": 2, "S": 1, "P": 2}
Nc1cc(N)nc([S-])n1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
7 meas.
MOL
3D
#2618
Ru(2)
donors: {"N": 2, "S": 1, "P": 4}
Cn1ccnc1[S-].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
7 meas.
MOL
3D
#2617
Ru(2)
donors: {"S": 1, "N": 1, "P": 4}
[S-]C1=NCCS1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
7 meas.
MOL
3D
#2616
Ru(2)
donors: {"N": 8}
Cc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#2615
Ru(2)
donors: {"N": 8}
Cc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
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136/189 (9414 total)