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canSAR169051
FEATURES
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NAMES
    SMILES
    COc1c(N[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2
    InChI
    InChI=1S/C27H34N2O8S/c1-12-22(32)23(33)24(34)27(37-12)29-18-10-14-6-8-17(28-13(2)30)16-11-19(31)20(38-5)9-7-15(16)21(14)26(36-4)25(18)35-3/h7,9-12,17,22-24,27,29,32-34H,6,8H2,1-5H3,(H,28,30)/t12-,17-,22-,23+,24+,27-/m0/s1
    MOLECULAR FORMULA
    C27H34N2O8S
    CROSS REFERENCES
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    canSAR169051

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.20
    AlogP 1.82
    HBond donors 5
    HBond acceptors 10
    Atoms 72
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR169051.