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canSAR785965
FEATURES
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NAMES
    SMILES
    CC(=O)/C=C/C(=O)N[C@@H]1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5
    InChI
    InChI=1S/C25H30N2O5/c1-14(28)2-7-20(30)26-17-8-9-25(31)19-12-16-5-6-18(29)22-21(16)24(25,23(17)32-22)10-11-27(19)13-15-3-4-15/h2,5-7,15,17,19,23,29,31H,3-4,8-13H2,1H3,(H,26,30)/b7-2+/t17-,19?,23?,24?,25?/m1/s1
    MOLECULAR FORMULA
    C25H30N2O5
    CROSS REFERENCES
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    canSAR785965

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.22
    AlogP 1.59
    HBond donors 3
    HBond acceptors 7
    Atoms 62
    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 canSAR785965.