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canSAR1634431
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NAMES
    SMILES
    CC1=NN=C(N)N/C1=C/C(Sc1ccc(Cl)cc1)c1c(O)ccc2ccccc12
    InChI
    InChI=1S/C22H19ClN4OS/c1-13-18(25-22(24)27-26-13)12-20(29-16-9-7-15(23)8-10-16)21-17-5-3-2-4-14(17)6-11-19(21)28/h2-12,20,28H,1H3,(H3,24,25,27)/b18-12+
    MOLECULAR FORMULA
    C22H19ClN4OS
    CROSS REFERENCES
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    canSAR1634431

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.10
    AlogP 5.21
    HBond donors 4
    HBond acceptors 5
    Atoms 48
    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 canSAR1634431.