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canSAR2203250
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NAMES
    SMILES
    COc1cc(COc2c(C)cccc2-c2csc(N3CC[C@@H](C(=O)O)[C@@H](OC)C3)n2)cc2c1CN(C1CCOCC1)CC2
    InChI
    InChI=1S/C33H41N3O6S/c1-21-5-4-6-25(28-20-43-33(34-28)36-12-8-26(32(37)38)30(18-36)40-3)31(21)42-19-22-15-23-7-11-35(24-9-13-41-14-10-24)17-27(23)29(16-22)39-2/h4-6,15-16,20,24,26,30H,7-14,17-19H2,1-3H3,(H,37,38)/t26-,30+/m1/s1
    MOLECULAR FORMULA
    C33H41N3O6S
    CROSS REFERENCES
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    canSAR2203250

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 607.27
    AlogP 5.17
    HBond donors 1
    HBond acceptors 9
    Atoms 84
    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 canSAR2203250.