General Information of the Compound
Compound ID
CP0351870
Compound Name
7-butan-2-yl-3-hydroxy-1H-benzimidazol-2-one
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Structure
Formula
C11H14N2O2
Molecular Weight
206.245
Canonical SMILES
CCC(C)c1cccc2n(O)c(=O)[nH]c12
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InChI
InChI=1S/C11H14N2O2/c1-3-7(2)8-5-4-6-9-10(8)12-11(14)13(9)15/h4-7,15H,3H2,1-2H3,(H,12,14)
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InChIKey
FLWGVFBGHLFUFA-UHFFFAOYSA-N
Physicochemical Property
logP
2.0804
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
58.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
15

"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: 71453078
SID: 163440803
ChEMBL ID
CHEMBL2152729
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 > 100000 nM
   TI
   LI
   LO
   TS