ST-1535   

GtoPdb Ligand ID: 5613

Synonyms: ST 1535 | ST1535
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 99.81
Molecular weight 272.15
XLogP 2.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1
Isomeric SMILES CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1
InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
InChI Key CYYQMAWUIRPCNW-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-butyl-9-methyl-8-(triazol-2-yl)purin-6-amine
Synonyms
ST 1535 | ST1535
Database Links
ChEMBL Ligand CHEMBL197669
GtoPdb PubChem SID 178102247
PubChem CID 9860294
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