General Information of the Compound
Compound ID
CP0880951
Compound Name
2-phenoxy-N-(2-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)benzamide
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Structure
Formula
C27H19F3N2O3
Molecular Weight
476.454
Canonical SMILES
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1Oc1ccccc1
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InChI
InChI=1S/C27H19F3N2O3/c28-27(29,30)18-9-8-10-19(17-18)31-25(33)21-13-4-6-15-23(21)32-26(34)22-14-5-7-16-24(22)35-20-11-2-1-3-12-20/h1-17H,(H,31,33)(H,32,34)
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InChIKey
DCUOMFZKEKJECS-UHFFFAOYSA-N
Physicochemical Property
logP
7.0023
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
35

"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: 90011367
ChEMBL ID
CHEMBL3718664
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 = 747 nM
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