tezampanel   

GtoPdb Ligand ID: 4245

Synonyms: LY-293,558 | LY293558
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 103.79
Molecular weight 279.17
XLogP 2.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C1NCC2C(C1)CC(CC2)CCc1nnn[nH]1
Isomeric SMILES OC(=O)[C@H]1NC[C@H]2[C@@H](C1)C[C@H](CC2)CCc1nnn[nH]1
InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
InChI Key ZXFRFPSZAKNPQQ-YTWAJWBKSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(3S,4aR,6R,8aR)-6-[2-(1H-1,2,3,4-tetrazol-5-yl)ethyl]-decahydroisoquinoline-3-carboxylic acid
International Nonproprietary Names
INN number INN
8743 tezampanel
Synonyms
LY-293,558 | LY293558
Database Links
CAS Registry No. 154652-83-2 (source: Scifinder)
ChEMBL Ligand CHEMBL14935
GtoPdb PubChem SID 178101062
PubChem CID 127894
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Wikipedia Tezampanel