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canSAR98922
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NAMES
    SMILES
    CC(C)(O/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(N)c4c([n+]3N)CCCC4)CSC12)c1cnc(N)s1)C(=O)O
    InChI
    InChI=1S/C25H29N9O7S3/c1-25(2,22(39)40)41-32-14(13-7-29-23(27)44-13)18(35)30-15-19(36)33-16(21(37)38)10(8-42-20(15)33)9-43-24-31-17(26)11-5-3-4-6-12(11)34(24)28/h7,15,20,26H,3-6,8-9,28H2,1-2H3,(H5,27,29,30,32,35,37,38,39,40)/p+1
    MOLECULAR FORMULA
    C25H30N9O7S3+
    CROSS REFERENCES
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    canSAR98922

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 664.14
    AlogP -0.30
    HBond donors 9
    HBond acceptors 16
    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 canSAR98922.