General Information of the Compound
Compound ID
CP0260434
Compound Name
1-hydroxy-3,6,7,8-tetrahydrocyclopenta[e]benzimidazol-2-one
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Structure
Formula
C10H10N2O2
Molecular Weight
190.202
Canonical SMILES
On1c2c3CCCc3ccc2[nH]c1=O
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InChI
InChI=1S/C10H10N2O2/c13-10-11-8-5-4-6-2-1-3-7(6)9(8)12(10)14/h4-5,14H,1-3H2,(H,11,13)
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InChIKey
WYKOXCFXCGYDJJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.0556
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
58.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 71449462
SID: 163440835
ChEMBL ID
CHEMBL2152744
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