General Information of the Compound
Compound ID
CP0915692
Compound Name
3-(5-fluoro-2-(4-fluorophenyl)-7-methoxy-1H-indol-3-yl)-N-((3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl)propanamide
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Structure
Formula
C22H21F2N3O4
Molecular Weight
429.423
Canonical SMILES
COc1cc(F)cc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccc(F)cc3)[nH]c12
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InChI
InChI=1S/C22H21F2N3O4/c1-31-17-9-13(24)8-15-14(6-7-18(29)26-21-16(28)10-25-22(21)30)19(27-20(15)17)11-2-4-12(23)5-3-11/h2-5,8-9,16,21,27-28H,6-7,10H2,1H3,(H,25,30)(H,26,29)/t16-,21+/m1/s1
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InChIKey
FXENNTAEOGGJLZ-IERDGZPVSA-N
Physicochemical Property
logP
2.0298
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
103.45
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
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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PubChem ID
CID: 153620002
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 < 250 nM
   TI
   LI
   LO
   TS