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canSAR1151111
FEATURES
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NAMES
    SMILES
    CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@]2(O)CNc1ccc2ncccc2c1
    InChI
    InChI=1S/C30H32N2O6/c1-15(2)28-23(37-28)24-30(38-24)26(3)9-8-18-19(13-35-25(18)33)20(26)12-22-29(30,36-22)27(28,34)14-32-17-6-7-21-16(11-17)5-4-10-31-21/h4-7,10-11,15,20,22-24,32,34H,8-9,12-14H2,1-3H3/t20-,22-,23-,24-,26-,27-,28-,29+,30+/m0/s1
    MOLECULAR FORMULA
    C30H32N2O6
    CROSS REFERENCES
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    canSAR1151111

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.23
    AlogP 3.13
    HBond donors 2
    HBond acceptors 8
    Atoms 70
    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 canSAR1151111.