General Information of the Compound
Compound ID
CP0564816
Compound Name
(6-fluoro-1-methylbenzimidazol-2-yl)-(7-fluoro-1-methylindol-3-yl)methanone
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Formula
C18H13F2N3O
Molecular Weight
325.318
Canonical SMILES
Cn1cc(C(=O)c2nc3ccc(F)cc3n2C)c2cccc(F)c12
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InChI
InChI=1S/C18H13F2N3O/c1-22-9-12(11-4-3-5-13(20)16(11)22)17(24)18-21-14-7-6-10(19)8-15(14)23(18)2/h3-9H,1-2H3
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InChIKey
GZWDPKFZWIXEQI-UHFFFAOYSA-N
Physicochemical Property
logP
3.5742
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
39.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
24

"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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ChEMBL ID
CHEMBL4783308
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 = 1.21 nM
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