canSAR857410
FEATURES
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NAMES
    SMILES
    CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.COC(=O)c1cnnn1C[C@@]1(C)[C@H](C(=O)[O-])C2C(=O)CC2S1(=O)=O
    InChI
    InChI=1S/C16H19N3O4S.C13H15N3O7S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-13(5-16-6(4-14-15-16)12(20)23-2)10(11(18)19)9-7(17)3-8(9)24(13,21)22/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);4,8-10H,3,5H2,1-2H3,(H,18,19)/p-1/t9?,10-,11+,14-;8?,9?,10-,13-/m10/s1
    MOLECULAR FORMULA
    C29H33N6O11S2-
    CROSS REFERENCES
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    canSAR857410
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight705.17
    AlogP-2.11
    HBond donors4
    HBond acceptors17
    Atoms81
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857410.