canSAR2168101
FEATURES
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NAMES
    SMILES
    COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCCN(C)C)n1)C(C)(C)CN2
    InChI
    InChI=1S/C29H40N8O4S/c1-29(2)19-30-26-25(29)27(32-22-8-6-7-9-24(22)42(38,39)31-12-13-36(3)4)35-28(34-26)33-21-11-10-20(18-23(21)40-5)37-14-16-41-17-15-37/h6-11,18,31H,12-17,19H2,1-5H3,(H3,30,32,33,34,35)
    MOLECULAR FORMULA
    C29H40N8O4S
    CROSS REFERENCES
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    canSAR2168101
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight596.29
    AlogP3.35
    HBond donors4
    HBond acceptors12
    Atoms82
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2168101.