General Information of the Compound
Compound ID
CP0424720
Compound Name
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-isopropyl-4-phenylimidazolidin-2-one
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Structure
Formula
C23H24F6N2O2
Molecular Weight
474.445
Canonical SMILES
CC(C)N1C[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1=O)c1ccccc1
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InChI
InChI=1S/C23H24F6N2O2/c1-14(2)31-12-21(30-20(31)32,17-7-5-4-6-8-17)13-33-15(3)16-9-18(22(24,25)26)11-19(10-16)23(27,28)29/h4-11,14-15H,12-13H2,1-3H3,(H,30,32)/t15-,21-/m1/s1
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InChIKey
OIEBSAIDAFOABW-QVKFZJNVSA-N
Physicochemical Property
logP
6.1309
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
41.57
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: 44408100
ChEMBL ID
CHEMBL381524
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: PT01410, Substance-P receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3.1 nM
   TI
   LI
   LO
   TS