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canSAR49905
FEATURES
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NAMES
    SMILES
    COc1cc(-c2nc(OC(C)C)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O
    InChI
    InChI=1S/C27H31NO6S/c1-17(2)34-25-16-35-27(28-25)20-7-10-23(24(14-20)31-3)33-12-4-11-32-21-8-9-22-18(13-21)5-6-19(22)15-26(29)30/h7-10,13-14,16-17,19H,4-6,11-12,15H2,1-3H3,(H,29,30)/t19-/m0/s1
    MOLECULAR FORMULA
    C27H31NO6S
    CROSS REFERENCES
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    canSAR49905

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.19
    AlogP 5.96
    HBond donors 1
    HBond acceptors 7
    Atoms 66
    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 canSAR49905.