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canSAR2002224
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NAMES
    SMILES
    C=CCSC(=S)NCc1cc2c3ccccc3n(C)c2c(-c2cc(OC)c(OC)c(OC)c2)n1
    InChI
    InChI=1S/C26H27N3O3S2/c1-6-11-34-26(33)27-15-17-14-19-18-9-7-8-10-20(18)29(2)24(19)23(28-17)16-12-21(30-3)25(32-5)22(13-16)31-4/h6-10,12-14H,1,11,15H2,2-5H3,(H,27,33)
    MOLECULAR FORMULA
    C26H27N3O3S2
    CROSS REFERENCES
    2002224 logo

    canSAR2002224

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.15
    AlogP 5.71
    HBond donors 1
    HBond acceptors 6
    Atoms 61
    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 canSAR2002224.