LY233536   

GtoPdb Ligand ID: 4244

Synonyms: LY 233536 | LY-233536
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 103.79
Molecular weight 265.15
XLogP 1.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C1NCC2C(C1)CC(CC2)Cc1nnn[nH]1
Isomeric SMILES OC(=O)[C@@H]1NC[C@@H]2[C@H](C1)C[C@@H](CC2)Cc1nnn[nH]1
InChI InChI=1S/C12H19N5O2/c18-12(19)10-5-9-3-7(1-2-8(9)6-13-10)4-11-14-16-17-15-11/h7-10,13H,1-6H2,(H,18,19)(H,14,15,16,17)/t7-,8-,9+,10-/m1/s1
InChI Key ACTONBBIVMTUAJ-DOLQZWNJSA-N