ADX88178   Click here for help

GtoPdb Ligand ID: 6238

Synonyms: ADX 88178 | ADX-88178
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 107.62
Molecular weight 272.08
XLogP 1.36
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccnc(n1)Nc1sc(c(n1)c1c[nH]nc1)C
Isomeric SMILES Cc1ccnc(n1)Nc1sc(c(n1)c1c[nH]nc1)C
InChI InChI=1S/C12H12N6S/c1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9/h3-6H,1-2H3,(H,14,15)(H,13,16,17,18)
InChI Key MIQNXKWDQRNHAU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-methyl-N-[5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyrimidin-2-amine
Synonyms Click here for help
ADX 88178 | ADX-88178
Database Links Click here for help
CAS Registry No. 1235318-89-4 (source: Scifinder)
GtoPdb PubChem SID 178102859
PubChem CID 46836872
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