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canSAR1491836
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NAMES
    SMILES
    COCCCNC(=O)c1sc2nc(C)c(C(=O)Nc3ccc(C)cc3C)c(-c3ccc(Cl)cc3)c2c1N
    InChI
    InChI=1S/C28H29ClN4O3S/c1-15-6-11-20(16(2)14-15)33-26(34)21-17(3)32-28-23(22(21)18-7-9-19(29)10-8-18)24(30)25(37-28)27(35)31-12-5-13-36-4/h6-11,14H,5,12-13,30H2,1-4H3,(H,31,35)(H,33,34)
    MOLECULAR FORMULA
    C28H29ClN4O3S
    CROSS REFERENCES
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    canSAR1491836

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.16
    AlogP 6.14
    HBond donors 4
    HBond acceptors 7
    Atoms 66
    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 canSAR1491836.