canSAR1587731
FEATURES
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NAMES
    SMILES
    C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1C(=O)NS(=O)(=O)n1nc(-c2cc(=O)c(O)c[nH]2)n(C[C@@H](O)CS(C)(=O)=O)c1=O
    InChI
    InChI=1S/C25H30N10O14S3/c1-10-16(29-19(39)17(13-8-50-22(26)28-13)31-49-25(2,3)21(41)42)20(40)34(10)23(43)32-52(47,48)35-24(44)33(7-11(36)9-51(4,45)46)18(30-35)12-5-14(37)15(38)6-27-12/h5-6,8,10-11,16,36,38H,7,9H2,1-4H3,(H2,26,28)(H,27,37)(H,29,39)(H,32,43)(H,41,42)/b31-17-/t10-,11+,16-/m0/s1
    MOLECULAR FORMULA
    C25H30N10O14S3
    CROSS REFERENCES
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    canSAR1587731
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight790.11
    AlogP-3.65
    HBond donors8
    HBond acceptors24
    Atoms82
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1587731.