General Information of the Compound
Compound ID
CP0570832
Compound Name
4-[5-chloro-2-[[1-(4-methylphenyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile
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Structure
Formula
C26H22ClN5O
Molecular Weight
455.949
Canonical SMILES
Cc1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
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InChI
InChI=1S/C26H22ClN5O/c1-18-4-7-21(8-5-18)32-24-10-12-29-16-25(24)31(26(32)33)17-22-15-19-14-20(27)6-9-23(19)30(22)13-3-2-11-28/h4-10,12,14-16H,2-3,13,17H2,1H3
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InChIKey
QARZRETYSAPLJA-UHFFFAOYSA-N
Physicochemical Property
logP
5.4558
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
68.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
33

"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).

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PubChem ID
CID: 118023272
ChEMBL ID
CHEMBL4643568
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
Protein ID: PT00459, Fusion glycoprotein F0
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 1.259 nM
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