canSAR1503338
FEATURES
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NAMES
    SMILES
    Cc1cc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc(CCC(=O)O)[n+]1CC[NH3+]
    InChI
    InChI=1S/C27H28Cl2N4O6S3/c1-14-8-18(10-17(3-5-22(35)36)32(14)7-6-30)40-11-15-12-42-26-23(25(37)33(26)24(15)27(38)39)31-21(34)13-41-20-9-16(28)2-4-19(20)29/h2,4,8-10,23,26H,3,5-7,11-13,30H2,1H3,(H2-,31,34,35,36,38,39)/p+2/t23-,26-/m1/s1
    MOLECULAR FORMULA
    C27H30Cl2N4O6S3+2
    CROSS REFERENCES
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    canSAR1503338
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight672.07
    AlogP2.47
    HBond donors6
    HBond acceptors10
    Atoms72
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503338.