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canSAR1146063
FEATURES
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NAMES
    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)C2(COC2)[C@@H]1O
    InChI
    InChI=1S/C29H46O4/c1-19(8-6-14-27(3,4)32)23-12-13-24-21(9-7-15-28(23,24)5)10-11-22-16-25(30)29(17-33-18-29)26(31)20(22)2/h10-11,19,23-26,30-32H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23-,24+,25-,26-,28-/m1/s1
    MOLECULAR FORMULA
    C29H46O4
    CROSS REFERENCES
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    canSAR1146063

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.34
    AlogP 5.33
    HBond donors 3
    HBond acceptors 4
    Atoms 79
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1146063.