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canSAR643778
FEATURES
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NAMES
    SMILES
    O=C(C[n+]1ccccc1)N/N=C(\C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)c1c(O)c2ccc(O)cc2oc1=O.[Cl-]
    InChI
    InChI=1S/C28H17ClN4O8.ClH/c29-21-23(26(38)16-7-3-2-6-15(16)25(21)37)30-27(39)22(32-31-19(35)13-33-10-4-1-5-11-33)20-24(36)17-9-8-14(34)12-18(17)41-28(20)40;/h1-12H,13H2,(H3-,30,31,32,34,35,36,37,38,39,40);1H
    MOLECULAR FORMULA
    C28H18Cl2N4O8
    CROSS REFERENCES
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    canSAR643778

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 608.05
    AlogP -1.34
    HBond donors 4
    HBond acceptors 12
    Atoms 60
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR643778.