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canSAR1443021
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
    InChI
    InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16?,21?,23-,24+,26?,27?,28?,29?,31?,32?/m1/s1
    MOLECULAR FORMULA
    C32H32O13S
    CROSS REFERENCES
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    canSAR1443021

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 656.16
    AlogP 2.75
    HBond donors 3
    HBond acceptors 13
    Atoms 78
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1443021.