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canSAR837610
FEATURES
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NAMES
    SMILES
    CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]3C1
    InChI
    InChI=1S/C30H46O3/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-19-25(3,4)22(31)10-11-26(19,5)20(27)9-13-30(28,21(29)18-24)33-23(29)32/h9,13,19-22,31H,8,10-12,14-18H2,1-7H3/t19-,20+,21+,22-,26-,27+,28-,29-,30-/m0/s1
    MOLECULAR FORMULA
    C30H46O3
    CROSS REFERENCES
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    canSAR837610

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.34
    AlogP 6.68
    HBond donors 1
    HBond acceptors 3
    Atoms 79
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR837610.