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canSAR1404525
FEATURES
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NAMES
    SMILES
    CC=CC=CC(=O)C1C(=O)[C@]2(C)C(=O)C(C)(O)[C@H]1[C@H]([C@]1(C)OC(=O)C(C)C1=O)[C@H]2C(=O)C=CC=CC
    InChI
    InChI=1S/C28H32O8/c1-7-9-11-13-16(29)18-20-21(28(6)22(31)15(3)24(33)36-28)19(17(30)14-12-10-8-2)26(4,23(18)32)25(34)27(20,5)35/h7-15,18-21,35H,1-6H3/t15?,18?,19-,20-,21-,26-,27?,28+/m1/s1
    MOLECULAR FORMULA
    C28H32O8
    CROSS REFERENCES
    1404525 logo

    canSAR1404525

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.21
    AlogP 2.30
    HBond donors 1
    HBond acceptors 8
    Atoms 68
    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 canSAR1404525.