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canSAR2203702
FEATURES
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NAMES
    SMILES
    CCc1cc(COc2c(C)cccc2-c2csc(N3CC[C@@H](C(=O)O)[C@@H](OC)C3)n2)cc2c1CN(C1CCOCC1)CC2
    InChI
    InChI=1S/C34H43N3O5S/c1-4-24-16-23(17-25-8-12-36(18-29(24)25)26-10-14-41-15-11-26)20-42-32-22(2)6-5-7-27(32)30-21-43-34(35-30)37-13-9-28(33(38)39)31(19-37)40-3/h5-7,16-17,21,26,28,31H,4,8-15,18-20H2,1-3H3,(H,38,39)/t28-,31+/m1/s1
    MOLECULAR FORMULA
    C34H43N3O5S
    CROSS REFERENCES
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    canSAR2203702

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 605.29
    AlogP 5.72
    HBond donors 1
    HBond acceptors 8
    Atoms 86
    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 canSAR2203702.