General Information of the Compound
Compound ID
CP0661111
Compound Name
N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
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Structure
Formula
C10H9N3OS
Molecular Weight
219.269
Canonical SMILES
Cc1cnc(NC(=O)c2ccccn2)s1
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InChI
InChI=1S/C10H9N3OS/c1-7-6-12-10(15-7)13-9(14)8-4-2-3-5-11-8/h2-6H,1H3,(H,12,13,14)
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InChIKey
FAVXGFTXPKPRPJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.09882
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 2463754
ChEMBL ID
CHEMBL1441042
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 23109.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT06101, Latent membrane protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 40226 nM
   TI
   LI
   LO
   TS