General Information of the Compound
Compound ID
CP0035029
Compound Name
N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide
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Structure
Formula
C18H22N4O
Molecular Weight
310.401
Canonical SMILES
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1cccn1
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InChI
InChI=1S/C18H22N4O/c23-18(20-17-13-16(17)14-5-2-1-3-6-14)21-11-7-15(8-12-21)22-10-4-9-19-22/h1-6,9-10,15-17H,7-8,11-13H2,(H,20,23)
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InChIKey
PGDZKICIZRFRTP-UHFFFAOYSA-N
Physicochemical Property
logP
2.7857
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
50.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 45273373
ChEMBL ID
CHEMBL559101
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2439 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 480 nM