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canSAR1119032
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NAMES
    SMILES
    O=C(Nc1nc2ccccc2c(=O)s1)c1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1
    InChI
    InChI=1S/C27H23ClN4O3S/c28-22-7-3-1-5-20(22)17-31-13-15-32(16-14-31)25(34)19-11-9-18(10-12-19)24(33)30-27-29-23-8-4-2-6-21(23)26(35)36-27/h1-12H,13-17H2,(H,29,30,33)
    MOLECULAR FORMULA
    C27H23ClN4O3S
    CROSS REFERENCES
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    canSAR1119032

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.12
    AlogP 4.52
    HBond donors 1
    HBond acceptors 7
    Atoms 59
    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 canSAR1119032.