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canSAR989911
FEATURES
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NAMES
    SMILES
    CC(C)(C)C(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
    InChI
    InChI=1S/C25H31NO5/c1-23(2,3)22(28)30-17-7-6-15-12-18-25(29)9-8-16(27)21-24(25,19(15)20(17)31-21)10-11-26(18)13-14-4-5-14/h6-7,14,18,21,29H,4-5,8-13H2,1-3H3/t18-,21+,24+,25-/m1/s1
    MOLECULAR FORMULA
    C25H31NO5
    CROSS REFERENCES
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    canSAR989911

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.22
    AlogP 2.77
    HBond donors 1
    HBond acceptors 6
    Atoms 62
    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 canSAR989911.