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canSAR2206831
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NAMES
    SMILES
    C[C@@H]1CCC[C@H](n2ccc(-c3c(F)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2ccc(N)cc2NC1=O
    InChI
    InChI=1S/C29H25ClF2N4O2/c1-16-3-2-4-25(36-12-10-18(14-26(36)37)27-22(31)8-7-21(30)28(27)32)24-13-17(9-11-34-24)20-6-5-19(33)15-23(20)35-29(16)38/h5-16,25H,2-4,33H2,1H3,(H,35,38)/t16-,25+/m1/s1
    MOLECULAR FORMULA
    C29H25ClF2N4O2
    CROSS REFERENCES
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    canSAR2206831

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 534.16
    AlogP 6.44
    HBond donors 3
    HBond acceptors 6
    Atoms 63
    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 canSAR2206831.