BAY 367620   Click here for help

GtoPdb Ligand ID: 1381

Synonyms: BAY 36-7620 | BAY-367620 | BAY36-7620
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 2
Topological polar surface area 26.3
Molecular weight 278.13
XLogP 3.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C=C1CC2C(C1)(Cc1ccc3c(c1)cccc3)C(=O)OC2
Isomeric SMILES C=C1C[C@H]2[C@](C1)(Cc1ccc3c(c1)cccc3)C(=O)OC2
InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1
InChI Key CVIRWLJKDBYYOG-MJGOQNOKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3aS,6aS)-5-methylidene-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
Synonyms Click here for help
BAY 36-7620 | BAY-367620 | BAY36-7620
Database Links Click here for help
CAS Registry No. 232605-26-4 (source: Scifinder)
ChEMBL Ligand CHEMBL254372
GtoPdb PubChem SID 135649980
PubChem CID 9903757
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Tocris
Bay 36-7620
Cat. No. 2501