canSAR1417565
FEATURES
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NAMES
    SMILES
    Nc1nc2ccccc2c2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C25H31N7O8S2/c26-23-19-20(12-5-1-2-6-13(12)28-23)32(11-27-19)24-22(35)21(34)15(40-24)9-39-42(37,38)31-17(33)8-4-3-7-16-18-14(10-41-16)29-25(36)30-18/h1-2,5-6,11,14-16,18,21-22,24,34-35H,3-4,7-10H2,(H5,26,28,29,30,31,33,36)/p-1/t14-,15+,16-,18-,21+,22+,24+/m0/s1
    MOLECULAR FORMULA
    C25H30N7O8S2-
    CROSS REFERENCES
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    canSAR1417565
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight620.16
    AlogP0.67
    HBond donors6
    HBond acceptors15
    Atoms72
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417565.