General Information of the Compound
Compound ID
CP0967698
Compound Name
N-(3,5-bis(trifluoromethyl)phenyl)-1-(2-chlorophenyl)-3-isopropyl-5-oxopyrrolidine-3-carboxamide
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Structure
Formula
C22H19ClF6N2O2
Molecular Weight
492.847
Canonical SMILES
CC(C)C1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)N(c2ccccc2Cl)C1
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InChI
InChI=1S/C22H19ClF6N2O2/c1-12(2)20(10-18(32)31(11-20)17-6-4-3-5-16(17)23)19(33)30-15-8-13(21(24,25)26)7-14(9-15)22(27,28)29/h3-9,12H,10-11H2,1-2H3,(H,30,33)
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InChIKey
FVXGJJBXXFCQIA-UHFFFAOYSA-N
Physicochemical Property
logP
6.3954
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 88954744
ChEMBL ID
CHEMBL3920550
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: PT03813, Chemerin-like receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 < 30 nM
   TI
   LI
   LO
   TS