General Information of the Compound
Compound ID
CP0482947
Compound Name
(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl) 4-methylpiperazine-1-carboxylate
    Show/Hide
Structure
Formula
C14H17N5O2S
Molecular Weight
319.39
Canonical SMILES
CN1CCN(CC1)C(=O)Oc1nc(sc1C)-c1cnccn1
    Show/Hide
InChI
InChI=1S/C14H17N5O2S/c1-10-12(17-13(22-10)11-9-15-3-4-16-11)21-14(20)19-7-5-18(2)6-8-19/h3-4,9H,5-8H2,1-2H3
    Show/Hide
InChIKey
UZSFKOXOUKALGG-UHFFFAOYSA-N
Physicochemical Property
logP
1.65472
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
71.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
22

"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: 145984454
ChEMBL ID
CHEMBL4240118
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS