General Information of the Compound
Compound ID
CP0526859
Compound Name
(2S)-1-benzyl-N-[(4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
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Structure
Formula
C19H20N2O3
Molecular Weight
324.38
Canonical SMILES
Oc1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)cc1
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InChI
InChI=1S/C19H20N2O3/c22-16-8-6-14(7-9-16)12-20-19(24)17-10-11-18(23)21(17)13-15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,20,24)/t17-/m0/s1
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InChIKey
DYJLKUQCMPDRLE-KRWDZBQOSA-N
Physicochemical Property
logP
2.1996
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 156010608
ChEMBL ID
CHEMBL4634246
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: PT07140, Ataxin-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 5000 nM
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   LI
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