canSAR824216
FEATURES
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NAMES
    SMILES
    CC1(C)SSC(C)(C)[C@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CNC(=O)[C@H](Cc2ccc(O)c([N+](=O)[O-])c2)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H]1N
    InChI
    InChI=1S/C36H51N11O15S2/c1-35(2)27(38)34(60)44-19(11-26(53)54)31(57)40-12-24(51)42-17(7-15-5-6-22(49)20(8-15)47(61)62)30(56)41-13-25(52)46-14-16(48)9-21(46)33(59)43-18(10-23(37)50)32(58)45-28(29(39)55)36(3,4)64-63-35/h5-6,8,16-19,21,27-28,48-49H,7,9-14,38H2,1-4H3,(H2,37,50)(H2,39,55)(H,40,57)(H,41,56)(H,42,51)(H,43,59)(H,44,60)(H,45,58)(H,53,54)/t16-,17+,18+,19-,21+,27+,28+/m1/s1
    MOLECULAR FORMULA
    C36H51N11O15S2
    CROSS REFERENCES
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    canSAR824216
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight941.30
    AlogP-4.91
    HBond donors15
    HBond acceptors26
    Atoms115
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824216.