canSAR1585040
FEATURES
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NAMES
    SMILES
    Cc1c(C(=O)N(c2ccc(O)cc2)c2cc(C#N)nn2C)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C
    InChI
    InChI=1S/C39H38ClN7O4/c1-25-34(39(50)47(30-9-11-32(48)12-10-30)37-20-29(22-41)42-44(37)3)21-36(43(25)2)35-19-28(40)8-13-33(35)38(49)46-23-27-7-5-4-6-26(27)18-31(46)24-45-14-16-51-17-15-45/h4-13,19-21,31,48H,14-18,23-24H2,1-3H3/t31-/m0/s1
    MOLECULAR FORMULA
    C39H38ClN7O4
    CROSS REFERENCES
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    canSAR1585040
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight703.27
    AlogP5.84
    HBond donors1
    HBond acceptors11
    Atoms89
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1585040.