General Information of the Compound
Compound ID
CP0548046
Compound Name
N,N,4-trimethyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide
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Structure
Formula
C17H16N2OS
Molecular Weight
296.395
Canonical SMILES
CN(C)C(=O)c1sc(nc1C)-c1cccc2ccccc12
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InChI
InChI=1S/C17H16N2OS/c1-11-15(17(20)19(2)3)21-16(18-11)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,1-3H3
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InChIKey
OOMVSXFYZPDSEF-UHFFFAOYSA-N
Physicochemical Property
logP
3.97352
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
33.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 137659281
ChEMBL ID
CHEMBL4099179
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 59 nM
   TI
   LI
   LO
   TS