vinburnine   Click here for help

GtoPdb Ligand ID: 345

Synonyms: eburnamonine
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 0
Rotatable bonds 1
Topological polar surface area 25.24
Molecular weight 294.17
XLogP 3.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCC12CCCN3C2c2n(C(=O)C1)c1c(c2CC3)cccc1
Isomeric SMILES CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1
InChI InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1
InChI Key WYJAPUKIYAZSEM-MOPGFXCFSA-N
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
4976 vinburnine
Synonyms Click here for help
eburnamonine
Database Links Click here for help
CAS Registry No. 4880-88-0 (source: Scifinder)
ChEMBL Ligand CHEMBL1892145
DrugCentral Ligand 2824
GtoPdb PubChem SID 135650219
PubChem CID 71203
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