Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

749955 - Overview - Compound Synopsis

Synonyms
MVD
Molecular Formula
C28H46O3
InChI
InChI=1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20+,23-,24+,25-,26-,28-/m1/s1
Smiles
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)[C@H](C)[C@@H]1O
Cross References
UniChem227201
canSAR749955
PDBe (Protein Data Bank Europe)MVD
ChEMBLCHEMBL215541
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 430.3446953325.95073377No


Compounds with the same scaffold


Image of compound ID: 749955
Murko Scaffold Family: 972 compoundsClick here to open a new canSAR search with these compounds

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