General Information of the Compound
Compound ID
CP0382757
Compound Name
N-[(2-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
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Structure
Formula
C18H15FN2OS
Molecular Weight
326.396
Canonical SMILES
Cc1nc(sc1C(=O)NCc1ccccc1F)-c1ccccc1
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InChI
InChI=1S/C18H15FN2OS/c1-12-16(23-18(21-12)13-7-3-2-4-8-13)17(22)20-11-14-9-5-6-10-15(14)19/h2-10H,11H2,1H3,(H,20,22)
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InChIKey
UUDZPRVADGBYBR-UHFFFAOYSA-N
Physicochemical Property
logP
4.18762
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 9456049
ChEMBL ID
CHEMBL4587737
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