CP55,244   Click here for help

GtoPdb Ligand ID: 5568

Synonyms: CP 55,244 | CP 55244 | CP-55,244 | CP-55244 | CP55244
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 60.69
Molecular weight 402.31
XLogP 7.31
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCCCC(c1ccc(c(c1)O)C1CC(O)CC2C1CC(CO)CC2)(C)C
Isomeric SMILES CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)C[C@H]2[C@H]1C[C@@H](CO)CC2)(C)C
InChI InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m0/s1
InChI Key ZAELPWSCABXXAB-NWXGMGMZSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R,4R,4aR,6S,8aS)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
Synonyms Click here for help
CP 55,244 | CP 55244 | CP-55,244 | CP-55244 | CP55244
Database Links Click here for help
CAS Registry No. 79732-51-7 (source: Scifinder)
GtoPdb PubChem SID 178102205
PubChem CID 9844074
Search Google for chemical match using the InChIKey ZAELPWSCABXXAB-NWXGMGMZSA-N
Search Google for chemicals with the same backbone ZAELPWSCABXXAB
Search UniChem for chemical match using the InChIKey ZAELPWSCABXXAB-NWXGMGMZSA-N
Search UniChem for chemicals with the same backbone ZAELPWSCABXXAB