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canSAR1981474
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc12
    InChI
    InChI=1S/C27H27F3N8O/c1-17-6-7-19(25(39)31-14-18-4-3-5-20(12-18)27(28,29)30)13-21(17)35-24-23-22(33-16-34-24)15-32-26(36-23)38-10-8-37(2)9-11-38/h3-7,12-13,15-16H,8-11,14H2,1-2H3,(H,31,39)(H,33,34,35)
    MOLECULAR FORMULA
    C27H27F3N8O
    CROSS REFERENCES
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    canSAR1981474

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.23
    AlogP 4.17
    HBond donors 2
    HBond acceptors 9
    Atoms 66
    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 canSAR1981474.