canSAR1602784
FEATURES
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NAMES
    SMILES
    C[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)NC1CCCCC1
    InChI
    InChI=1S/C33H44N4O4/c1-22-18-37(23(2)20-38)32(39)31-30(27-16-10-11-17-28(27)36(31)4)26-15-9-8-12-24(26)21-41-29(22)19-35(3)33(40)34-25-13-6-5-7-14-25/h8-12,15-17,22-23,25,29,38H,5-7,13-14,18-21H2,1-4H3,(H,34,40)/t22-,23-,29+/m1/s1
    MOLECULAR FORMULA
    C33H44N4O4
    CROSS REFERENCES
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    canSAR1602784
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight560.34
    AlogP5.18
    HBond donors2
    HBond acceptors8
    Atoms85
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1602784.