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canSAR1446172
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NAMES
    SMILES
    O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCCc1ccccc1
    InChI
    InChI=1S/C25H22N4OS/c30-22(26-17-16-19-10-4-1-5-11-19)18-31-25-27-23(20-12-6-2-7-13-20)24(28-29-25)21-14-8-3-9-15-21/h1-15H,16-18H2,(H,26,30)
    MOLECULAR FORMULA
    C25H22N4OS
    CROSS REFERENCES
    1446172 logo

    canSAR1446172

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.15
    AlogP 4.66
    HBond donors 1
    HBond acceptors 5
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1446172.