General Information of the Compound
Compound ID
CP0187423
Compound Name
7-ethyl-3-hydroxy-1H-benzimidazol-2-one
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Structure
Formula
C9H10N2O2
Molecular Weight
178.191
Canonical SMILES
CCc1cccc2n(O)c(=O)[nH]c12
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InChI
InChI=1S/C9H10N2O2/c1-2-6-4-3-5-7-8(6)10-9(12)11(7)13/h3-5,13H,2H2,1H3,(H,10,12)
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InChIKey
MLZSIUBLUWKANP-UHFFFAOYSA-N
Physicochemical Property
logP
1.1293
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
58.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 71460303
SID: 163440779
ChEMBL ID
CHEMBL2152723
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 = 80000 nM
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