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canSAR2206647
FEATURES
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NAMES
    SMILES
    CCCN(c1nc2nc(C(=O)O)nc(N[C@H](C)C3CCC3)c2n1Cc1ccc(C(F)(F)F)cc1)[C@@H](C)c1cccc(F)c1
    InChI
    InChI=1S/C31H34F4N6O2/c1-4-15-40(19(3)22-9-6-10-24(32)16-22)30-39-27-25(41(30)17-20-11-13-23(14-12-20)31(33,34)35)26(37-28(38-27)29(42)43)36-18(2)21-7-5-8-21/h6,9-14,16,18-19,21H,4-5,7-8,15,17H2,1-3H3,(H,42,43)(H,36,37,38)/t18-,19+/m1/s1
    MOLECULAR FORMULA
    C31H34F4N6O2
    CROSS REFERENCES
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    canSAR2206647

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 598.27
    AlogP 7.31
    HBond donors 2
    HBond acceptors 8
    Atoms 77
    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 canSAR2206647.