General Information of the Compound
Compound ID
CP0970410
Compound Name
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-N-methyl-azetidine-1-carboxamide
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Formula
C24H24F3N3O
Molecular Weight
427.47
Canonical SMILES
CN(CC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C(=O)N1CCC1
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InChI
InChI=1S/C24H24F3N3O/c1-29(24(31)30-7-2-8-30)13-14-9-16(10-14)21-19-11-18(26)12-20(27)23(19)28-22(21)15-3-5-17(25)6-4-15/h3-6,11-12,14,16,28H,2,7-10,13H2,1H3
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InChIKey
UWIMUFCQFVCNTI-UHFFFAOYSA-N
Physicochemical Property
logP
5.5033
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
39.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
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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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