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canSAR49858
FEATURES
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NAMES
    SMILES
    O=C(Nc1ccc(C[C@H](/N=c2\c(O)c(O)\c2=N/C2CCCC2)C(=O)O)cc1)c1c(Cl)cncc1Cl
    InChI
    InChI=1S/C24H22Cl2N4O5/c25-15-10-27-11-16(26)18(15)23(33)29-14-7-5-12(6-8-14)9-17(24(34)35)30-20-19(21(31)22(20)32)28-13-3-1-2-4-13/h5-8,10-11,13,17,31-32H,1-4,9H2,(H,29,33)(H,34,35)/b28-19-,30-20-/t17-/m0/s1
    MOLECULAR FORMULA
    C24H22Cl2N4O5
    CROSS REFERENCES
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    canSAR49858

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.10
    AlogP 3.37
    HBond donors 4
    HBond acceptors 9
    Atoms 57
    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 canSAR49858.