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canSAR1025996
FEATURES
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NAMES
    SMILES
    CN(CCCC(=O)NCC#N)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1
    InChI
    InChI=1S/C26H34N4O3/c1-29(13-3-4-25(31)28-12-11-27)26(32)20-6-8-24-22(17-20)21-16-19(5-7-23(21)30(24)2)18-9-14-33-15-10-18/h6,8,17-19H,3-5,7,9-10,12-16H2,1-2H3,(H,28,31)/t19-/m1/s1
    MOLECULAR FORMULA
    C26H34N4O3
    CROSS REFERENCES
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    canSAR1025996

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.26
    AlogP 3.20
    HBond donors 1
    HBond acceptors 7
    Atoms 67
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1025996.