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canSAR562653
FEATURES
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NAMES
    SMILES
    COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2C)CC(c2cccc(C(=N)N)c2)=NO1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C27H27N5O6S.C2HF3O2/c1-16-12-17(20-8-3-4-9-23(20)39(30,35)36)10-11-21(16)31-26(34)27(15-24(33)37-2)14-22(32-38-27)18-6-5-7-19(13-18)25(28)29;3-2(4,5)1(6)7/h3-13H,14-15H2,1-2H3,(H3,28,29)(H,31,34)(H2,30,35,36);(H,6,7)
    MOLECULAR FORMULA
    C29H28F3N5O8S
    CROSS REFERENCES
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    canSAR562653

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 663.16
    AlogP 3.29
    HBond donors 7
    HBond acceptors 13
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR562653.