General Information of the Compound
Compound ID
CP0967971
Compound Name
3-(5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-N-((3S,5S)-5-(fluoromethyl)-2-oxopyrrolidin-3-yl)propanamide
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Structure
Formula
C22H19F4N3O2
Molecular Weight
433.405
Canonical SMILES
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)N[C@H]1C[C@@H](CF)NC1=O
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InChI
InChI=1S/C22H19F4N3O2/c23-10-14-9-18(22(31)27-14)28-19(30)6-5-15-16-7-13(25)8-17(26)21(16)29-20(15)11-1-3-12(24)4-2-11/h1-4,7-8,14,18,29H,5-6,9-10H2,(H,27,31)(H,28,30)/t14-,18-/m0/s1
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InChIKey
MDYJMFFDXNPLQD-KSSFIOAISA-N
Physicochemical Property
logP
3.5276
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
73.99
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
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: 148465545
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