General Information of the Compound
Compound ID
CP0159129
Compound Name
2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
    Show/Hide
Structure
Formula
C18H21N5O2S
Molecular Weight
371.466
Canonical SMILES
Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(CC2CC2)C1=O
    Show/Hide
InChI
InChI=1S/C18H21N5O2S/c1-12-15(16(24)20-10-14-3-2-6-19-9-14)26-17(21-12)23-8-7-22(18(23)25)11-13-4-5-13/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3,(H,20,24)
    Show/Hide
InChIKey
DQJQOFFCCSGWRM-UHFFFAOYSA-N
Physicochemical Property
logP
2.42852
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
78.43
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 25094877
SID: 56414477
ChEMBL ID
CHEMBL3104822
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: PT01587, Stearoyl-CoA desaturase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 63 nM
   TI
   LI
   LO
   TS