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canSAR1999771
FEATURES
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NAMES
    SMILES
    COC(=O)C1=C(C)N(Cc2ccccc2)[C@]23O[C@@](C(=O)OC)(C(=O)N2C1c1ccccc1)C1CCCC(=O)C13
    InChI
    InChI=1S/C30H30N2O7/c1-18-23(26(34)37-2)25(20-13-8-5-9-14-20)32-27(35)29(28(36)38-3)21-15-10-16-22(33)24(21)30(32,39-29)31(18)17-19-11-6-4-7-12-19/h4-9,11-14,21,24-25H,10,15-17H2,1-3H3/t21?,24?,25?,29-,30+/m1/s1
    MOLECULAR FORMULA
    C30H30N2O7
    CROSS REFERENCES
    1999771 logo

    canSAR1999771

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 530.21
    AlogP 3.11
    HBond donors 0
    HBond acceptors 9
    Atoms 69
    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 canSAR1999771.