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canSAR779401
FEATURES
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NAMES
    SMILES
    Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(C(=O)O)c2ccc(F)cc2)CC1
    InChI
    InChI=1S/C36H40F2N4O2/c1-24-39-32-7-2-3-8-33(32)42(24)31-22-29-13-14-30(23-31)41(29)20-17-36(26-5-4-6-28(38)21-26)15-18-40(19-16-36)34(35(43)44)25-9-11-27(37)12-10-25/h2-12,21,29-31,34H,13-20,22-23H2,1H3,(H,43,44)/t29-,30+,31+,34?
    MOLECULAR FORMULA
    C36H40F2N4O2
    CROSS REFERENCES
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    canSAR779401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 598.31
    AlogP 7.04
    HBond donors 1
    HBond acceptors 6
    Atoms 84
    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 canSAR779401.