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canSAR643179
FEATURES
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NAMES
    SMILES
    CCCCC(=O)OC[n+]1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)cc1.[I-]
    InChI
    InChI=1S/C28H40N4O6.HI/c1-6-7-10-25(33)38-18-31-14-11-21(12-15-31)26-23(17-37-28(35)30-20(4)5)22(24-9-8-13-32(24)26)16-36-27(34)29-19(2)3;/h11-12,14-15,19-20H,6-10,13,16-18H2,1-5H3,(H-,29,30,34,35);1H
    MOLECULAR FORMULA
    C28H41IN4O6
    CROSS REFERENCES
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    canSAR643179

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 656.21
    AlogP 1.35
    HBond donors 2
    HBond acceptors 10
    Atoms 80
    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 canSAR643179.