General Information of the Compound
| Compound ID |
CP0354086
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-methyl-6-(4-(pyrrolidin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35ClN6O2
|
||||||||||||||||||
| Molecular Weight |
547.103
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35ClN6O2/c1-19-15-23(37-13-8-22(9-14-37)36-11-2-3-12-36)17-25-28(19)35-29(34-25)27-24(7-10-32-30(27)39)33-18-26(38)20-5-4-6-21(31)16-20/h4-7,10,15-17,22,26,38H,2-3,8-9,11-14,18H2,1H3,(H,34,35)(H2,32,33,39)/t26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKKIQRNCGVRLBH-AREMUKBSSA-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