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canSAR1646746
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NAMES
    SMILES
    O=c1c(-c2cccs2)nc2ccccc2n1C(CCc1ccccc1)c1nc2ccccc2[nH]1
    InChI
    InChI=1S/C28H22N4OS/c33-28-26(25-15-8-18-34-25)29-22-13-6-7-14-23(22)32(28)24(17-16-19-9-2-1-3-10-19)27-30-20-11-4-5-12-21(20)31-27/h1-15,18,24H,16-17H2,(H,30,31)
    MOLECULAR FORMULA
    C28H22N4OS
    CROSS REFERENCES
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    canSAR1646746

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.15
    AlogP 6.22
    HBond donors 1
    HBond acceptors 5
    Atoms 56
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1646746.