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canSAR990630
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NAMES
    SMILES
    Cc1c(F)cccc1Cc1c(C(=O)N2CCN[C@@H](C)C2)c2cnc(O)cc2n1C1CCCCC1
    InChI
    InChI=1S/C27H33FN4O2/c1-17-16-31(12-11-29-17)27(34)26-21-15-30-25(33)14-23(21)32(20-8-4-3-5-9-20)24(26)13-19-7-6-10-22(28)18(19)2/h6-7,10,14-15,17,20,29H,3-5,8-9,11-13,16H2,1-2H3,(H,30,33)/t17-/m0/s1
    MOLECULAR FORMULA
    C27H33FN4O2
    CROSS REFERENCES
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    canSAR990630

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 464.26
    AlogP 4.72
    HBond donors 2
    HBond acceptors 6
    Atoms 67
    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 canSAR990630.