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canSAR1207603
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)C=O)CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C30H45NO3/c1-19(2)20-10-13-30(25(33)34)15-14-28(6)21(24(20)30)8-9-23-27(5,16-17-31)22(26(3,4)18-32)11-12-29(23,28)7/h18,20-24H,1,8-16H2,2-7H3,(H,33,34)/t20-,21+,22-,23+,24+,27-,28+,29+,30-/m0/s1
    MOLECULAR FORMULA
    C30H45NO3
    CROSS REFERENCES
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    canSAR1207603

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.34
    AlogP 7.05
    HBond donors 1
    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 canSAR1207603.