General Information of the Compound
Compound ID
CP0486301
Compound Name
2-(cyclohexanecarbonylamino)-N-(3-methylphenyl)benzamide
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Structure
Formula
C21H24N2O2
Molecular Weight
336.435
Canonical SMILES
Cc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
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InChI
InChI=1S/C21H24N2O2/c1-15-8-7-11-17(14-15)22-21(25)18-12-5-6-13-19(18)23-20(24)16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10H2,1H3,(H,22,25)(H,23,24)
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InChIKey
BKPKEVGJQMLUGA-UHFFFAOYSA-N
Physicochemical Property
logP
4.76612
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 1511185
ChEMBL ID
CHEMBL3715535
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 = 37400 nM
   TI
   LI
   LO
   TS
2
EC50 = 37400 nM
   TI
   LI
   LO
   TS