canSAR856748
FEATURES
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NAMES
    SMILES
    CC(=O)OCC1=C(C(=O)[O-])N2C(=O)/C(=C/C(=O)[O-])[C@H]2S(=O)(=O)C1.CCN1CCN(C(=O)NC(C(=O)N[C@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)O)c2ccccc2)C(=O)C1=O.[Na+].[Na+]
    InChI
    InChI=1S/C23H27N5O7S.C12H11NO9S.2Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;1-5(14)22-3-6-4-23(20,21)11-7(2-8(15)16)10(17)13(11)9(6)12(18)19;;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);2,11H,3-4H2,1H3,(H,15,16)(H,18,19);;/q;;2*+1/p-2/b;7-2-;;/t13?,14-,15+,20-;11-;;/m01../s1
    MOLECULAR FORMULA
    C35H36N6Na2O16S2
    CROSS REFERENCES
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    canSAR856748
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight906.14
    AlogP-10.41
    HBond donors3
    HBond acceptors22
    Atoms97
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856748.