General Information of the Compound
Compound ID
CP0351835
Compound Name
7-benzyl-3-hydroxy-1H-benzimidazol-2-one
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Structure
Formula
C14H12N2O2
Molecular Weight
240.262
Canonical SMILES
On1c2cccc(Cc3ccccc3)c2[nH]c1=O
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InChI
InChI=1S/C14H12N2O2/c17-14-15-13-11(7-4-8-12(13)16(14)18)9-10-5-2-1-3-6-10/h1-8,18H,9H2,(H,15,17)
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InChIKey
RNOQXUGCKVNTPI-UHFFFAOYSA-N
Physicochemical Property
logP
2.1577
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
58.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 71451263
SID: 163440799
ChEMBL ID
CHEMBL2152725
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: PT02547, D-amino-acid oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 10000 nM
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