General Information of the Compound
Compound ID
CP0385808
Compound Name
N-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide
    Show/Hide
Structure
Formula
C20H21BrN2O2
Molecular Weight
401.304
Canonical SMILES
Brc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
    Show/Hide
InChI
InChI=1S/C20H21BrN2O2/c21-15-9-6-10-16(13-15)22-20(25)17-11-4-5-12-18(17)23-19(24)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,22,25)(H,23,24)
    Show/Hide
InChIKey
LDWIBUXEMKKIJJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.2202
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 56593333
ChEMBL ID
CHEMBL3716871
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 = 2650 nM
   TI
   LI
   LO
   TS
2
EC50 = 2650 nM
   TI
   LI
   LO
   TS