General Information of the Compound
Compound ID
CP0297180
Compound Name
1-(1-Acetyl-piperidin-4-yl)-3-bicyclo[2.2.1]hept-7-yl-urea
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Structure
Formula
C15H25N3O2
Molecular Weight
279.384
Canonical SMILES
CC(=O)N1CCC(CC1)NC(=O)NC1C2CCC1CC2
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InChI
InChI=1S/C15H25N3O2/c1-10(19)18-8-6-13(7-9-18)16-15(20)17-14-11-2-3-12(14)5-4-11/h11-14H,2-9H2,1H3,(H2,16,17,20)
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InChIKey
MNHSFDMUIPFLLZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.4851
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
61.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 53323158
ChEMBL ID
CHEMBL1668926
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: PT01103, Bifunctional epoxide hydrolase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000749 HUVEC-C Homo sapiens (Human)  1
1
IC50 = 120 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 14 nM