General Information of the Compound
Compound ID
CP0926539
Compound Name
2-methoxy-N-(2-(3-(piperidin-1-yl)phenylcarbamoyl)phenyl)benzamide
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Structure
Formula
C26H27N3O3
Molecular Weight
429.52
Canonical SMILES
COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCCCC2)c1
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InChI
InChI=1S/C26H27N3O3/c1-32-24-15-6-4-13-22(24)26(31)28-23-14-5-3-12-21(23)25(30)27-19-10-9-11-20(18-19)29-16-7-2-8-17-29/h3-6,9-15,18H,2,7-8,16-17H2,1H3,(H,27,30)(H,28,31)
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InChIKey
OGVANAALBWFWBB-UHFFFAOYSA-N
Physicochemical Property
logP
5.1901
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 90010729
ChEMBL ID
CHEMBL3716829
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)  1
1
AC50 = 5290 nM
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