General Information of the Compound
Compound ID
CP0491708
Compound Name
4-[3-[[5-chloro-1-(3-cyanopropyl)indol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]benzoic acid
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Structure
Formula
C26H20ClN5O3
Molecular Weight
485.931
Canonical SMILES
OC(=O)c1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
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InChI
InChI=1S/C26H20ClN5O3/c27-19-5-8-22-18(13-19)14-21(30(22)12-2-1-10-28)16-31-24-15-29-11-9-23(24)32(26(31)35)20-6-3-17(4-7-20)25(33)34/h3-9,11,13-15H,1-2,12,16H2,(H,33,34)
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InChIKey
DFSUFCXGSMOZJI-UHFFFAOYSA-N
Physicochemical Property
logP
4.84558
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
105.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
35

"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: 90026279
ChEMBL ID
CHEMBL4646241
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 = 0.5012 nM
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