General Information of the Compound
Compound ID
CP0970121
Compound Name
N-((3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl)-3-(2-(p-tolyl)-1H-indol-3-yl)propanamide
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Structure
Formula
C22H23N3O3
Molecular Weight
377.444
Canonical SMILES
Cc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)cc1
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InChI
InChI=1S/C22H23N3O3/c1-13-6-8-14(9-7-13)20-16(15-4-2-3-5-17(15)24-20)10-11-19(27)25-21-18(26)12-23-22(21)28/h2-9,18,21,24,26H,10-12H2,1H3,(H,23,28)(H,25,27)/t18-,21+/m1/s1
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InChIKey
DFRNGRVSGODYLX-NQIIRXRSSA-N
Physicochemical Property
logP
2.05142
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
94.22
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 147352571
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