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canSAR1638989
FEATURES
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NAMES
    SMILES
    COc1cc(CO)cc(I)c1O[C@H]1C=C(C(=O)NCCO)C[C@@H](N(CC2CCCCC2)C(=O)c2cc3ccccc3oc2=O)[C@@H]1O
    InChI
    InChI=1S/C34H39IN2O9/c1-44-29-14-21(19-39)13-25(35)31(29)45-28-17-23(32(41)36-11-12-38)16-26(30(28)40)37(18-20-7-3-2-4-8-20)33(42)24-15-22-9-5-6-10-27(22)46-34(24)43/h5-6,9-10,13-15,17,20,26,28,30,38-40H,2-4,7-8,11-12,16,18-19H2,1H3,(H,36,41)/t26-,28+,30+/m1/s1
    MOLECULAR FORMULA
    C34H39IN2O9
    CROSS REFERENCES
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    canSAR1638989

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 746.17
    AlogP 3.54
    HBond donors 4
    HBond acceptors 11
    Atoms 85
    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 canSAR1638989.