General Information of the Compound
Compound ID
CP0382821
Compound Name
N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
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Structure
Formula
C16H22N2OS
Molecular Weight
290.432
Canonical SMILES
Cc1nc(C)c(s1)C(=O)NC12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C16H22N2OS/c1-9-14(20-10(2)17-9)15(19)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H,18,19)
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InChIKey
FVMFGNBRCDDCPL-UHFFFAOYSA-N
Physicochemical Property
logP
3.45854
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 3372949
SID: 16934570
ChEMBL ID
CHEMBL4470152
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 = 1530 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