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canSAR1621189
FEATURES
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NAMES
    SMILES
    COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c2n1
    InChI
    InChI=1S/C23H28FN7O4S/c1-35-23-17(12-15(24)13-25-23)19-4-3-8-30(19)20-7-11-31-21(28-20)18(14-26-31)22(32)27-16-5-9-29(10-6-16)36(2,33)34/h7,11-14,16,19H,3-6,8-10H2,1-2H3,(H,27,32)/t19-/m1/s1
    MOLECULAR FORMULA
    C23H28FN7O4S
    CROSS REFERENCES
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    canSAR1621189

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.19
    AlogP 1.77
    HBond donors 1
    HBond acceptors 11
    Atoms 64
    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 canSAR1621189.