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canSAR1999975
FEATURES
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NAMES
    SMILES
    C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)Cc1cccc(O)c1
    InChI
    InChI=1S/C33H39N3O4/c1-22-17-36(23(2)20-37)33(39)32-31(28-14-7-8-15-29(28)35(32)4)27-13-6-5-11-25(27)21-40-30(22)19-34(3)18-24-10-9-12-26(38)16-24/h5-16,22-23,30,37-38H,17-21H2,1-4H3/t22-,23-,30+/m0/s1
    MOLECULAR FORMULA
    C33H39N3O4
    CROSS REFERENCES
    1999975 logo

    canSAR1999975

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 541.29
    AlogP 5.04
    HBond donors 2
    HBond acceptors 7
    Atoms 79
    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 canSAR1999975.