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canSAR1093001
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=S)NC(=O)c3cccs3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC
    InChI
    InChI=1S/C28H26N2O8S2/c1-33-19-7-13(8-20(34-2)25(19)35-3)22-14-9-17-18(38-12-37-17)10-15(14)24(16-11-36-27(32)23(16)22)29-28(39)30-26(31)21-5-4-6-40-21/h4-10,16,22-24H,11-12H2,1-3H3,(H2,29,30,31,39)/t16-,22+,23-,24+/m0/s1
    MOLECULAR FORMULA
    C28H26N2O8S2
    CROSS REFERENCES
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    canSAR1093001

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.11
    AlogP 3.78
    HBond donors 2
    HBond acceptors 10
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1093001.