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canSAR831681
FEATURES
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NAMES
    SMILES
    CCCO[C@H]1C[C@@](C)(O)[C@H](C(=O)OC)c2cc3c(c(O)c21)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O
    InChI
    InChI=1S/C32H37NO12/c1-7-8-43-16-11-31(2,41)21(29(40)42-6)12-9-13-18(24(36)17(12)16)25(37)19-15(34)10-14-27(20(19)23(13)35)44-30-26(38)22(33(4)5)28(39)32(14,3)45-30/h9-10,16,21-22,26,28,30,34,36,38-39,41H,7-8,11H2,1-6H3/t16-,21-,22-,26-,28+,30+,31+,32+/m0/s1
    MOLECULAR FORMULA
    C32H37NO12
    CROSS REFERENCES
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    canSAR831681

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 627.23
    AlogP 1.37
    HBond donors 5
    HBond acceptors 13
    Atoms 82
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR831681.