General Information of the Compound
Compound ID
CP0968598
Compound Name
trans-N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-hydroxy-acetamide
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Formula
C21H20F3N3O2
Molecular Weight
403.404
Canonical SMILES
O=C(CN[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)NCO
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InChI
InChI=1S/C21H20F3N3O2/c22-13-3-1-11(2-4-13)20-19(16-7-14(23)8-17(24)21(16)27-20)12-5-15(6-12)25-9-18(29)26-10-28/h1-4,7-8,12,15,25,27-28H,5-6,9-10H2,(H,26,29)/t12-,15-
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InChIKey
OVZGHZYDCUYYQB-NNUKFRKNSA-N
Physicochemical Property
logP
3.1538
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
77.15
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
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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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
   TI
   LI
   LO
   TS