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canSAR834407
FEATURES
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NAMES
    SMILES
    CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\O)C4=C(O)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C27H43NO3/c1-16(2)7-6-8-17(3)19-9-10-20-18-15-22(28-31)24-25(30)23(29)12-14-27(24,5)21(18)11-13-26(19,20)4/h16-21,30-31H,6-15H2,1-5H3/b28-22+/t17-,18+,19-,20+,21+,26-,27-/m1/s1
    MOLECULAR FORMULA
    C27H43NO3
    CROSS REFERENCES
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    canSAR834407

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.32
    AlogP 6.92
    HBond donors 2
    HBond acceptors 4
    Atoms 74
    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 canSAR834407.