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canSAR1151141
FEATURES
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NAMES
    SMILES
    COc1ccc2cc(C(C)C(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(/C=N/[C@@H](CCCN)C(=O)O)OC(C)=O)ccc2c1
    InChI
    InChI=1S/C33H42N2O13/c1-18(23-9-10-25-15-26(43-6)12-11-24(25)14-23)33(42)44-17-29(46-20(3)37)31(48-22(5)39)30(47-21(4)38)28(45-19(2)36)16-35-27(32(40)41)8-7-13-34/h9-12,14-16,18,27-31H,7-8,13,17,34H2,1-6H3,(H,40,41)/b35-16+/t18?,27-,28?,29?,30?,31?/m0/s1
    MOLECULAR FORMULA
    C33H42N2O13
    CROSS REFERENCES
    1151141 logo

    canSAR1151141

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 674.27
    AlogP 2.48
    HBond donors 3
    HBond acceptors 15
    Atoms 90
    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 canSAR1151141.