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canSAR551403
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NAMES
    SMILES
    CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21.O=C(O)[C@H](O)[C@@H](O)C(=O)O
    InChI
    InChI=1S/C37H37ClF2N4O2.C4H6O6/c1-3-42(4-2)22-23-43(24-26-12-14-27(15-13-26)28-16-19-30(38)20-17-28)35(45)25-44-33-11-6-5-9-31(33)37(46)41-34(44)21-18-29-8-7-10-32(39)36(29)40;5-1(3(7)8)2(6)4(9)10/h5-17,19-20H,3-4,18,21-25H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
    MOLECULAR FORMULA
    C41H43ClF2N4O8
    CROSS REFERENCES
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    canSAR551403

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 792.27
    AlogP 5.03
    HBond donors 4
    HBond acceptors 12
    Atoms 99
    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 canSAR551403.