canSAR2079992
FEATURES
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NAMES
    SMILES
    CC1(C)O[C@@H]2[C@@H](COc3ccc(-c4cc(=S)ss4)cc3)O[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O1
    InChI
    InChI=1S/C22H21N5O4S3/c1-22(2)30-17-13(8-28-12-5-3-11(4-6-12)14-7-15(32)34-33-14)29-21(18(17)31-22)27-10-26-16-19(23)24-9-25-20(16)27/h3-7,9-10,13,17-18,21H,8H2,1-2H3,(H2,23,24,25)/t13-,17-,18-,21-/m1/s1
    MOLECULAR FORMULA
    C22H21N5O4S3
    CROSS REFERENCES
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    canSAR2079992
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight515.08
    AlogP4.42
    HBond donors2
    HBond acceptors9
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079992.