deramciclane   Click here for help

GtoPdb Ligand ID: 5490

Synonyms: EGIS-3886 | EGYT 3886 | EGYT-3886 | EGYT3886
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 12.47
Molecular weight 301.24
XLogP 4.57
No. Lipinski's rules broken 0
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Canonical SMILES CN(CCOC1(CC2C(C1(C)CC2)(C)C)c1ccccc1)C
Isomeric SMILES CN(CCO[C@@]1(C[C@@H]2C([C@@]1(C)CC2)(C)C)c1ccccc1)C
InChI InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6838 deramciclane
Synonyms Click here for help
EGIS-3886 | EGYT 3886 | EGYT-3886 | EGYT3886
Database Links Click here for help
CAS Registry No. 120444-71-5 (source: Scifinder)
ChEMBL Ligand CHEMBL2104698
GtoPdb PubChem SID 178102137
PubChem CID 119590
Search Google for chemical match using the InChIKey QOBGWWQAMAPULA-RLLQIKCJSA-N
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UniChem Compound Search for chemical match using the InChIKey QOBGWWQAMAPULA-RLLQIKCJSA-N
UniChem Connectivity Search for chemical match using the InChIKey QOBGWWQAMAPULA-RLLQIKCJSA-N
Wikipedia Deramciclane