General Information of the Compound
Compound ID
CP0951658
Compound Name
2-(benzylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
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Structure
Formula
C21H17F3N2O
Molecular Weight
370.374
Canonical SMILES
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccccc1
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InChI
InChI=1S/C21H17F3N2O/c22-21(23,24)16-9-6-10-17(13-16)26-20(27)18-11-4-5-12-19(18)25-14-15-7-2-1-3-8-15/h1-13,25H,14H2,(H,26,27)
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InChIKey
BXUJDNHEKUNFDS-UHFFFAOYSA-N
Physicochemical Property
logP
5.5698
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 90011315
ChEMBL ID
CHEMBL3716765
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 = 47100 nM
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