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canSAR668148
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NAMES
    SMILES
    CCCc1cnc(N2CCC(C(=O)NS(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)(c3cccc(OC)c3)CC2)nc1
    InChI
    InChI=1S/C32H42N4O5S/c1-7-10-24-20-33-31(34-21-24)36-17-15-32(16-18-36,25-11-8-12-26(19-25)40-6)30(37)35-42(38,39)41-29-27(22(2)3)13-9-14-28(29)23(4)5/h8-9,11-14,19-23H,7,10,15-18H2,1-6H3,(H,35,37)
    MOLECULAR FORMULA
    C32H42N4O5S
    CROSS REFERENCES
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    canSAR668148

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.29
    AlogP 5.66
    HBond donors 1
    HBond acceptors 9
    Atoms 84
    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 canSAR668148.