General Information of the Compound
Compound ID
CP0377549
Compound Name
[4-(trifluoromethyl)phenyl] N-(5-methyl-2-propan-2-ylphenyl)carbamate
    Show/Hide
Structure
Formula
C18H18F3NO2
Molecular Weight
337.341
Canonical SMILES
CC(C)c1ccc(C)cc1NC(=O)Oc1ccc(cc1)C(F)(F)F
    Show/Hide
InChI
InChI=1S/C18H18F3NO2/c1-11(2)15-9-4-12(3)10-16(15)22-17(23)24-14-7-5-13(6-8-14)18(19,20)21/h4-11H,1-3H3,(H,22,23)
    Show/Hide
InChIKey
XUHFEFZADOSUTQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.74812
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 66561960
SID: 152192667
ChEMBL ID
CHEMBL2087066
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: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 41000 nM
   TI
   LI
   LO
   TS
2
IC50 = 4100 nM
   TI
   LI
   LO
   TS
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 23100 nM
   TI
   LI
   LO
   TS
2
IC50 = 73700 nM
   TI
   LI
   LO
   TS