General Information of the Compound
Compound ID
CP0942761
Compound Name
N-(2-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)biphenyl-3-carboxamide
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Structure
Formula
C27H19F3N2O2
Molecular Weight
460.455
Canonical SMILES
O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(-c2ccccc2)c1
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InChI
InChI=1S/C27H19F3N2O2/c28-27(29,30)21-12-7-13-22(17-21)31-26(34)23-14-4-5-15-24(23)32-25(33)20-11-6-10-19(16-20)18-8-2-1-3-9-18/h1-17H,(H,31,34)(H,32,33)
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InChIKey
ZJZJBNKVOKNIPZ-UHFFFAOYSA-N
Physicochemical Property
logP
6.877
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
34

"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: 90010758
ChEMBL ID
CHEMBL3715462
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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