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canSAR1616914
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NAMES
    SMILES
    CCCCCCOC(=O)/N=C(\N)c1ccc(CC2NCCn3c2nc2cc(C(=O)N(CCC(=O)OCc4nc(C)c(C)nc4C)c4ccccn4)ccc23)cc1
    InChI
    InChI=1S/C42H49N9O5/c1-5-6-7-10-23-55-42(54)49-39(43)31-14-12-30(13-15-31)24-34-40-48-33-25-32(16-17-36(33)50(40)22-20-44-34)41(53)51(37-11-8-9-19-45-37)21-18-38(52)56-26-35-29(4)46-27(2)28(3)47-35/h8-9,11-17,19,25,34,44H,5-7,10,18,20-24,26H2,1-4H3,(H2,43,49,54)
    MOLECULAR FORMULA
    C42H49N9O5
    CROSS REFERENCES
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    canSAR1616914

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 759.39
    AlogP 6.24
    HBond donors 3
    HBond acceptors 14
    Atoms 105
    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 canSAR1616914.