General Information of the Compound
Compound ID
CP0568294
Compound Name
(2S)-2-(5-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide
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Structure
Formula
C23H25N3OS
Molecular Weight
391.54
Canonical SMILES
CC(C)c1ccccc1NC(=O)N1CCC[C@H]1c1ncc(s1)-c1ccccc1
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InChI
InChI=1S/C23H25N3OS/c1-16(2)18-11-6-7-12-19(18)25-23(27)26-14-8-13-20(26)22-24-15-21(28-22)17-9-4-3-5-10-17/h3-7,9-12,15-16,20H,8,13-14H2,1-2H3,(H,25,27)/t20-/m0/s1
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InChIKey
OUEUEFKYNVJSPA-FQEVSTJZSA-N
Physicochemical Property
logP
6.3025
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 168281165
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5.32 nM
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