General Information of the Compound
Compound ID
CP0382827
Compound Name
N-benzyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
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Structure
Formula
C13H14N2OS
Molecular Weight
246.335
Canonical SMILES
Cc1nc(C)c(s1)C(=O)NCc1ccccc1
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InChI
InChI=1S/C13H14N2OS/c1-9-12(17-10(2)15-9)13(16)14-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,16)
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InChIKey
FXFUXZVNPRJEHK-UHFFFAOYSA-N
Physicochemical Property
logP
2.68994
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 695120
ChEMBL ID
CHEMBL4456654
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000883 HTLA Homo sapiens (Human)  1
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000883 HTLA Homo sapiens (Human)  1
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS