General Information of the Compound
Compound ID
CP0537862
Compound Name
(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
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Structure
Formula
C23H22F2N4O2
Molecular Weight
424.451
Canonical SMILES
Cn1c(nc2ccc(F)cc12)C(=O)c1cn(CCN2CCOCC2)c2c(F)cccc12
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InChI
InChI=1S/C23H22F2N4O2/c1-27-20-13-15(24)5-6-19(20)26-23(27)22(30)17-14-29(8-7-28-9-11-31-12-10-28)21-16(17)3-2-4-18(21)25/h2-6,13-14H,7-12H2,1H3
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InChIKey
MFOALZQYGRQVCV-UHFFFAOYSA-N
Physicochemical Property
logP
3.3694
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
52.29
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 154626629
ChEMBL ID
CHEMBL4788701
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: PT03976, Proprotein convertase subtilisin/kexin type 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 11 nM
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