General Information of the Compound
Compound ID
CP0234206
Compound Name
2-(cyclohexanecarbonylamino)-N-phenylbenzamide
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Structure
Formula
C20H22N2O2
Molecular Weight
322.408
Canonical SMILES
O=C(Nc1ccccc1C(=O)Nc1ccccc1)C1CCCCC1
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InChI
InChI=1S/C20H22N2O2/c23-19(15-9-3-1-4-10-15)22-18-14-8-7-13-17(18)20(24)21-16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,21,24)(H,22,23)
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InChIKey
WWKYBCSINPENOG-UHFFFAOYSA-N
Physicochemical Property
logP
4.4577
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 730108
ChEMBL ID
CHEMBL1491180
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: PT05999, Relaxin receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
AC50 = 94000 nM
   TI
   LI
   LO
   TS
2
EC50 = 94000 nM
   TI
   LI
   LO
   TS