General Information of the Compound
Compound ID
CP0576874
Compound Name
1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
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Structure
Formula
C22H25N5O
Molecular Weight
375.476
Canonical SMILES
CC(C)CCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cnccc12
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InChI
InChI=1S/C22H25N5O/c1-15(2)7-10-25-18(11-16-12-23-8-5-19(16)25)14-26-21-13-24-9-6-20(21)27(22(26)28)17-3-4-17/h5-6,8-9,11-13,15,17H,3-4,7,10,14H2,1-2H3
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InChIKey
FIDFAZRWFAAYIC-UHFFFAOYSA-N
Physicochemical Property
logP
3.977
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
57.64
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 118874449
ChEMBL ID
CHEMBL4644121
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 = 0.2512 nM
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