General Information of the Compound
Compound ID
CP0471706
Compound Name
2-(cyclohexanecarbonylamino)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
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Structure
Formula
C26H27N3O4
Molecular Weight
445.519
Canonical SMILES
O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)C1CCCCC1
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InChI
InChI=1S/C26H27N3O4/c30-24(18-9-2-1-3-10-18)28-23-15-7-5-13-21(23)26(32)29-22-14-6-4-12-20(22)25(31)27-17-19-11-8-16-33-19/h4-8,11-16,18H,1-3,9-10,17H2,(H,27,31)(H,28,30)(H,29,32)
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InChIKey
JHZJADQGVUCBMO-UHFFFAOYSA-N
Physicochemical Property
logP
4.9807
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
100.44
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 56593321
ChEMBL ID
CHEMBL3717718
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 = 9400 nM
   TI
   LI
   LO
   TS
2
EC50 = 9400 nM
   TI
   LI
   LO
   TS