General Information of the Compound
Compound ID
CP0970414
Compound Name
N-(2,2-difluoroethyl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]azetidine-1-carboxamide
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Structure
Formula
C20H16F5N3O
Molecular Weight
409.358
Canonical SMILES
O=C(NCC(F)F)N1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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InChI
InChI=1S/C20H16F5N3O/c21-12-3-1-10(2-4-12)18-17(14-5-13(22)6-15(23)19(14)27-18)11-8-28(9-11)20(29)26-7-16(24)25/h1-6,11,16,27H,7-9H2,(H,26,29)
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InChIKey
TZTONQJWVYJZFD-UHFFFAOYSA-N
Physicochemical Property
logP
4.6261
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
48.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
29

"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: 156816474
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 = 0.25 nM
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