canSAR948050
FEATURES
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NAMES
    SMILES
    Cc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC[C@@]3(CCN(c4ncnc(N)c4C4CC4)C3)C2)c(C)c1
    InChI
    InChI=1S/C26H38N6O3S/c1-18-4-7-22(19(2)12-18)36(34,35)30-13-21(33)14-31-10-3-8-26(15-31)9-11-32(16-26)25-23(20-5-6-20)24(27)28-17-29-25/h4,7,12,17,20-21,30,33H,3,5-6,8-11,13-16H2,1-2H3,(H2,27,28,29)/t21-,26-/m1/s1
    MOLECULAR FORMULA
    C26H38N6O3S
    CROSS REFERENCES
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    canSAR948050
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight514.27
    AlogP2.18
    HBond donors4
    HBond acceptors9
    Atoms74
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR948050.