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canSAR836660
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NAMES
    SMILES
    CCCC(=N)NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)C3O5
    InChI
    InChI=1S/C31H36N4O3/c1-2-3-25(32)33-15-18-6-8-22-20(12-18)21-14-31(37)24-13-19-7-9-23(36)28-26(19)30(31,29(38-28)27(21)34-22)10-11-35(24)16-17-4-5-17/h6-9,12,17,24,29,34,36-37H,2-5,10-11,13-16H2,1H3,(H2,32,33)/t24-,29?,30+,31-/m1/s1
    MOLECULAR FORMULA
    C31H36N4O3
    CROSS REFERENCES
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    canSAR836660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.28
    AlogP 4.44
    HBond donors 5
    HBond acceptors 7
    Atoms 74
    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 canSAR836660.