canSAR856772
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)c1nnn(C[C@@]2(C)[C@H](C(=O)[O-])C3C(=O)CC3S2(=O)=O)c1C(=O)OC.[Na+]
    InChI
    InChI=1S/C16H19N3O4S.C15H17N3O9S.Na/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;1-15(9(12(20)21)8-6(19)4-7(8)28(15,24)25)5-18-11(14(23)27-3)10(16-17-18)13(22)26-2;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);7-9H,4-5H2,1-3H3,(H,20,21);/q;;+1/p-1/t9?,10-,11+,14-;7?,8?,9-,15-;/m10./s1
    MOLECULAR FORMULA
    C31H35N6NaO13S2
    CROSS REFERENCES
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    canSAR856772
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight786.16
    AlogP-5.32
    HBond donors4
    HBond acceptors19
    Atoms88
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856772.