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canSAR1528269
FEATURES
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NAMES
    SMILES
    COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(CCF)[C@@H]3C)n1
    InChI
    InChI=1S/C30H32F4N6O4/c1-17-20-5-4-6-23(25(20)28(42)40(17)14-11-31)44-27-21(30(32,33)34)16-35-29(38-27)37-22-8-7-18(15-24(22)43-3)26(41)36-19-9-12-39(2)13-10-19/h4-8,15-17,19H,9-14H2,1-3H3,(H,36,41)(H,35,37,38)/t17-/m1/s1
    MOLECULAR FORMULA
    C30H32F4N6O4
    CROSS REFERENCES
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    canSAR1528269

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 616.24
    AlogP 5.35
    HBond donors 2
    HBond acceptors 10
    Atoms 76
    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 canSAR1528269.