compound 7 [PMID: 20638279]   Click here for help

GtoPdb Ligand ID: 6232

Synonyms: compound 7 [PMID: 20180624] [2]
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 94.73
Molecular weight 243.06
XLogP 2.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES c1ccc(nc1)Nc1scc(n1)c1c[nH]nc1
Isomeric SMILES c1ccc(nc1)Nc1scc(n1)c1c[nH]nc1
InChI InChI=1S/C11H9N5S/c1-2-4-12-10(3-1)16-11-15-9(7-17-11)8-5-13-14-6-8/h1-7H,(H,13,14)(H,12,15,16)
InChI Key WIILZWDTWZFGNO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
Synonyms Click here for help
compound 7 [PMID: 20180624] [2]
Database Links Click here for help
ChEMBL Ligand CHEMBL1830693
GtoPdb PubChem SID 178102853
PubChem CID 42645487
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