canSAR1025675
FEATURES
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NAMES
    SMILES
    C=C1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)[C@H](C)CCC(C)(C)O)C[C@H]1O
    InChI
    InChI=1S/C28H46O3/c1-18(13-15-27(4,5)31)19(2)23-11-12-24-22(8-7-14-28(23,24)6)10-9-21-16-25(29)20(3)26(30)17-21/h9-10,18-19,23-26,29-31H,3,7-8,11-17H2,1-2,4-6H3/b22-10+/t18-,19+,23-,24+,25-,26-,28-/m1/s1
    MOLECULAR FORMULA
    C28H46O3
    CROSS REFERENCES
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    canSAR1025675
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight430.34
    AlogP5.95
    HBond donors3
    HBond acceptors3
    Atoms77
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1025675.