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canSAR546119
FEATURES
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NAMES
    SMILES
    Cc1ccc(NC(=O)c2ccc(CN3CC[C@@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl
    InChI
    InChI=1S/C30H31F3N8O.ClH/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3;/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39);1H/t24-;/m1./s1
    MOLECULAR FORMULA
    C30H32ClF3N8O
    CROSS REFERENCES
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    canSAR546119

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 612.23
    AlogP 5.81
    HBond donors 2
    HBond acceptors 9
    Atoms 75
    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 canSAR546119.