General Information of the Compound
Compound ID
CP0915695
Compound Name
3-(2-(3,4-difluorophenyl)-5,7-difluoro-1H-indol-3-yl)-N-((3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl)propanamide
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Structure
Formula
C21H17F4N3O3
Molecular Weight
435.377
Canonical SMILES
O=C(CCc1c(-c2ccc(F)c(F)c2)[nH]c2c(F)cc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O
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InChI
InChI=1S/C21H17F4N3O3/c22-10-6-12-11(2-4-17(30)27-20-16(29)8-26-21(20)31)18(28-19(12)15(25)7-10)9-1-3-13(23)14(24)5-9/h1,3,5-7,16,20,28-29H,2,4,8H2,(H,26,31)(H,27,30)/t16-,20+/m1/s1
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InChIKey
BXBGQWDJOYEUDD-UZLBHIALSA-N
Physicochemical Property
logP
2.2994
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
94.22
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
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: 153619978
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