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canSAR559372
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NAMES
    SMILES
    COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(C(=O)O)cc23)cc1Cl.Cl
    InChI
    InChI=1S/C22H23ClN4O4.ClH/c1-31-19-5-2-13(10-18(19)23)12-24-20-17-11-14(22(29)30)3-4-16(17)21(26-25-20)27-8-6-15(28)7-9-27;/h2-5,10-11,15,28H,6-9,12H2,1H3,(H,24,25)(H,29,30);1H
    MOLECULAR FORMULA
    C22H24Cl2N4O4
    CROSS REFERENCES
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    canSAR559372

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.12
    AlogP 3.98
    HBond donors 3
    HBond acceptors 8
    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 canSAR559372.