General Information of the Compound
Compound ID
CP0943497
Compound Name
N-(3,5-bis(trifluoromethyl)phenyl)-2-(2,6-dimethylphenyl)-5-hydroxy-1-oxooctahydrocyclopenta[c]pyrrole-3a-carboxamide
    Show/Hide
Structure
Formula
C24H22F6N2O3
Molecular Weight
500.439
Canonical SMILES
Cc1cccc(C)c1N1CC2(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC(O)CC2C1=O
    Show/Hide
InChI
InChI=1S/C24H22F6N2O3/c1-12-4-3-5-13(2)19(12)32-11-22(10-17(33)9-18(22)20(32)34)21(35)31-16-7-14(23(25,26)27)6-15(8-16)24(28,29)30/h3-8,17-18,33H,9-11H2,1-2H3,(H,31,35)
    Show/Hide
InChIKey
UXXFNYIKQIPLBJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.08364
Rotatable Bonds
3
Heavy Atom Count
35
Polar Areas
69.64
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 88954669
ChEMBL ID
CHEMBL3986203
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