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canSAR829021
FEATURES
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NAMES
    SMILES
    CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@H]6O[C@@]5(CCC6(C)C)CC[C@]43C)[C@@]2(C)C(=O)C1=O
    InChI
    InChI=1S/C29H42O3/c1-16(2)20-17-10-11-27(6)19(28(17,7)23(31)22(20)30)9-8-18-21-24-25(3,4)12-14-29(21,32-24)15-13-26(18,27)5/h16,18-19,21,24H,8-15H2,1-7H3/t18-,19+,21+,24-,26-,27-,28+,29+/m1/s1
    MOLECULAR FORMULA
    C29H42O3
    CROSS REFERENCES
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    canSAR829021

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.31
    AlogP 6.30
    HBond donors 0
    HBond acceptors 3
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR829021.