NS8593   Click here for help

GtoPdb Ligand ID: 2318

Synonyms: NS 8593 | NS-8593
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 40.71
Molecular weight 263.14
XLogP 4.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES c1ccc2c(c1)C(CCC2)Nc1nc2c([nH]1)cccc2
Isomeric SMILES c1ccc2c(c1)[C@@H](CCC2)Nc1nc2c([nH]1)cccc2
InChI InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1
InChI Key XZIZUQSOFMLIIR-CQSZACIVSA-N