General Information of the Compound
| Compound ID |
CP0570829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20ClN5O
|
||||||||||||||||||
| Molecular Weight |
405.889
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2n(CCCC#N)c(Cn3c4cnccc4n(C4CC4)c3=O)cc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20ClN5O/c23-16-3-6-19-15(11-16)12-18(26(19)10-2-1-8-24)14-27-21-13-25-9-7-20(21)28(22(27)29)17-4-5-17/h3,6-7,9,11-13,17H,1-2,4-5,10,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICICKCXBBVMONE-UHFFFAOYSA-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