ZM-241385   Click here for help

GtoPdb Ligand ID: 405

Synonyms: ZM-241,385 | ZM241385
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 127.39
Molecular weight 337.13
XLogP 1.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1
Isomeric SMILES Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1
InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
InChI Key PWTBZOIUWZOPFT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol
Synonyms Click here for help
ZM-241,385 | ZM241385
Database Links Click here for help
CAS Registry No. 139180-30-6
ChEMBL Ligand CHEMBL113142
DrugBank Ligand DB08770
GtoPdb PubChem SID 135651364
PubChem CID 176407
RCSB PDB Ligand ZMA
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SynPHARM 1491 (in complex with A2A receptor)
Wikipedia ZM-241,385

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Tocris
ZM 241385
Cat. No. 1036