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canSAR834515
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NAMES
    SMILES
    CCNC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)OC1CC2C(C)(C)C1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3
    InChI
    InChI=1S/C31H38N2O5/c1-6-32-27(36)33-24(19-12-8-7-9-13-19)25(34)26(35)37-23-16-22-28(3,4)29(23,5)30-17-18(2)20-14-10-11-15-21(20)31(22,30)38-30/h7-15,18,22-25,34H,6,16-17H2,1-5H3,(H2,32,33,36)/t18-,22?,23?,24-,25+,29?,30-,31+/m0/s1
    MOLECULAR FORMULA
    C31H38N2O5
    CROSS REFERENCES
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    canSAR834515

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.28
    AlogP 4.56
    HBond donors 3
    HBond acceptors 7
    Atoms 76
    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 canSAR834515.