CD2665   Click here for help

GtoPdb Ligand ID: 2654

Synonyms: CD 2665 | CD-2665
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 64.99
Molecular weight 486.24
XLogP 8.33
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COCCOCOc1cc2ccc(cc2cc1C12CC3CC(C2)CC(C1)C3)c1ccc(cc1)C(=O)O
Isomeric SMILES COCCOCOc1cc2ccc(cc2cc1C12CC3CC(C2)CC(C1)C3)c1ccc(cc1)C(=O)O
InChI InChI=1S/C31H34O5/c1-34-8-9-35-19-36-29-15-26-7-6-25(23-2-4-24(5-3-23)30(32)33)13-27(26)14-28(29)31-16-20-10-21(17-31)12-22(11-20)18-31/h2-7,13-15,20-22H,8-12,16-19H2,1H3,(H,32,33)
InChI Key JBALRFFXKQPVLT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]benzoic acid
Synonyms Click here for help
CD 2665 | CD-2665
Database Links Click here for help
CAS Registry No. 170355-78-9 (source: Scifinder)
GtoPdb PubChem SID 135650059
PubChem CID 216241
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Tocris
CD 2665
Cat. No. 3800