canSAR164501
FEATURES
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NAMES
    SMILES
    CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc(N(C)C)c3c(c2O)C(O)=C2C(=O)[C@]4(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)C4CC2C3)s1
    InChI
    InChI=1S/C29H34N6O10S2/c1-10-27(46-28(31-10)32-11(2)36)47(44,45)33-15-9-16(34(3)4)13-7-12-8-14-20(35(5)6)23(39)19(26(30)42)25(41)29(14,43)24(40)17(12)22(38)18(13)21(15)37/h9,12,14,20,33,37-38,41,43H,7-8H2,1-6H3,(H2,30,42)(H,31,32,36)/t12?,14?,20-,29-/m0/s1
    MOLECULAR FORMULA
    C29H34N6O10S2
    CROSS REFERENCES
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    canSAR164501
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight690.18
    AlogP0.55
    HBond donors8
    HBond acceptors16
    Atoms81
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR164501.