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canSAR990836
FEATURES
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NAMES
    SMILES
    C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2ccccc2Cl)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O
    InChI
    InChI=1S/C28H28ClNO5/c1-17-12-13-20-24(26(2)23(31)14-15-28(17,26)33)34-25(32)27(20)16-22(19-10-6-7-11-21(19)29)30(35-27)18-8-4-3-5-9-18/h3-11,14-15,17,20,22,24,33H,12-13,16H2,1-2H3/t17-,20+,22?,24+,26-,27-,28+/m0/s1
    MOLECULAR FORMULA
    C28H28ClNO5
    CROSS REFERENCES
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    canSAR990836

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.17
    AlogP 4.81
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    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 canSAR990836.