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canSAR150024
FEATURES
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NAMES
    SMILES
    O=C(O)/C(=C/c1sc2cc(OCc3ccc(-c4ccccc4)cc3)c(OCc3ccc(-c4ccccc4)cc3)cc2c1Oc1ccc(Cl)nc1)c1ccncc1
    InChI
    InChI=1S/C47H33ClN2O5S/c48-45-20-19-38(28-50-45)55-46-40-25-41(53-29-31-11-15-35(16-12-31)33-7-3-1-4-8-33)42(54-30-32-13-17-36(18-14-32)34-9-5-2-6-10-34)27-43(40)56-44(46)26-39(47(51)52)37-21-23-49-24-22-37/h1-28H,29-30H2,(H,51,52)/b39-26+
    MOLECULAR FORMULA
    C47H33ClN2O5S
    CROSS REFERENCES
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    canSAR150024

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 772.18
    AlogP 12.25
    HBond donors 1
    HBond acceptors 7
    Atoms 89
    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 canSAR150024.