General Information of the Compound
Compound ID
CP0564815
Compound Name
(7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone
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Structure
Formula
C17H11F2N3O
Molecular Weight
311.291
Canonical SMILES
Cn1c(nc2ccc(F)cc12)C(=O)c1c[nH]c2c(F)cccc12
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InChI
InChI=1S/C17H11F2N3O/c1-22-14-7-9(18)5-6-13(14)21-17(22)16(23)11-8-20-15-10(11)3-2-4-12(15)19/h2-8,20H,1H3
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InChIKey
QLKHIHJMEWHCQU-UHFFFAOYSA-N
Physicochemical Property
logP
3.5638
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
50.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 154626627
ChEMBL ID
CHEMBL4780905
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 = 0.15 nM
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