General Information of the Compound
Compound ID
CP0963959
Compound Name
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide
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Structure
Formula
C20H18F3N3O
Molecular Weight
373.378
Canonical SMILES
NC(=O)CNC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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InChI
InChI=1S/C20H18F3N3O/c21-12-3-1-10(2-4-12)19-18(11-5-14(6-11)25-9-17(24)27)15-7-13(22)8-16(23)20(15)26-19/h1-4,7-8,11,14,25-26H,5-6,9H2,(H2,24,27)
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InChIKey
FEBVZGUNNWWLPO-UHFFFAOYSA-N
Physicochemical Property
logP
3.5731
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
70.91
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 156815991
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: PT07126, Apolipoprotein L1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS