General Information of the Compound
| Compound ID |
CP0194543
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[2-(3,5-dimethyl-phenyl)-3-((S)-2-{2-[2-(1-hydroxy-1-methyl-ethyl)-pyridin-4-yl]-ethylamino}-1-methyl-ethyl)-1H-indol-5-yl]-2-methyl-propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H52N4O2
|
||||||||||||||||||
| Molecular Weight |
620.882
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CNCCc1ccnc(c1)C(C)(C)O)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H52N4O2/c1-25-18-26(2)20-30(19-25)37-36(27(3)23-41-16-14-28-15-17-42-35(21-28)40(6,7)46)33-22-31(10-13-34(33)43-37)39(4,5)38(45)44-24-29-8-11-32(44)12-9-29/h10,13,15,17-22,27,29,32,41,43,46H,8-9,11-12,14,16,23-24H2,1-7H3/t27-,29?,32?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQOUKXJHARBDTJ-LROMOASZSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound