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canSAR14893
FEATURES
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NAMES
    SMILES
    CCCOc1c(C(=O)N/N=C\c2ccc3c(c2)Cc2ccccc2-3)sc(C(=O)N/N=C/c2ccc3c(c2)Cc2ccccc2-3)c1OCCC
    InChI
    InChI=1S/C40H36N4O4S/c1-3-17-47-35-36(48-18-4-2)38(40(46)44-42-24-26-14-16-34-30(20-26)22-28-10-6-8-12-32(28)34)49-37(35)39(45)43-41-23-25-13-15-33-29(19-25)21-27-9-5-7-11-31(27)33/h5-16,19-20,23-24H,3-4,17-18,21-22H2,1-2H3,(H,43,45)(H,44,46)/b41-23-,42-24+
    MOLECULAR FORMULA
    C40H36N4O4S
    CROSS REFERENCES
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    canSAR14893

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 668.25
    AlogP 8.00
    HBond donors 2
    HBond acceptors 8
    Atoms 85
    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 canSAR14893.