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canSAR1131935
FEATURES
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NAMES
    SMILES
    CCC(C#N)(CC)c1ccc(C(=O)Nc2ccc(-c3cnc(C(=O)N[C@H](C(=O)O)C(C)C)s3)cc2)cc1
    InChI
    InChI=1S/C28H30N4O4S/c1-5-28(6-2,16-29)20-11-7-19(8-12-20)24(33)31-21-13-9-18(10-14-21)22-15-30-26(37-22)25(34)32-23(17(3)4)27(35)36/h7-15,17,23H,5-6H2,1-4H3,(H,31,33)(H,32,34)(H,35,36)/t23-/m0/s1
    MOLECULAR FORMULA
    C28H30N4O4S
    CROSS REFERENCES
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    canSAR1131935

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.20
    AlogP 5.48
    HBond donors 3
    HBond acceptors 8
    Atoms 67
    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 canSAR1131935.