General Information of the Compound
Compound ID
CP0564334
Compound Name
4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]-N'-hydroxybutanimidamide
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Structure
Formula
C22H23ClN6O2
Molecular Weight
438.919
Canonical SMILES
ONC(=N)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Cl)ccc12
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InChI
InChI=1S/C22H23ClN6O2/c23-15-3-6-18-14(10-15)11-17(27(18)9-1-2-21(24)26-31)13-28-20-12-25-8-7-19(20)29(22(28)30)16-4-5-16/h3,6-8,10-12,16,31H,1-2,4-5,9,13H2,(H2,24,26)
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InChIKey
HIZNTKGPJIVMBH-UHFFFAOYSA-N
Physicochemical Property
logP
3.92557
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
100.86
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
31

"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: 156013989
ChEMBL ID
CHEMBL4634973
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 = 2.512 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
CC50 > 50000 nM
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