canSAR820154
FEATURES
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NAMES
    SMILES
    CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCc4ccc(-c5ccccc5)cc4)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(cc3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O
    InChI
    InChI=1S/C86H100ClN11O25/c1-37(2)25-52(91-7)77(109)97-67-69(104)45-20-24-56(51(87)27-45)119-58-29-46-28-57(73(58)123-84-74(71(106)70(105)59(36-99)120-84)122-62-34-86(6,90)76(108)39(4)117-62)118-48-21-17-43(18-22-48)72(121-61-33-85(5,89)75(107)38(3)116-61)68-83(115)96-66(79(111)92-35-40-13-15-42(16-14-40)41-11-9-8-10-12-41)50-30-47(100)31-55(102)63(50)49-26-44(19-23-54(49)101)64(80(112)98-68)95-81(113)65(46)94-78(110)53(32-60(88)103)93-82(67)114/h8-24,26-31,37-39,52-53,59,61-62,64-72,74-76,84,91,99-102,104-108H,25,32-36,89-90H2,1-7H3,(H2,88,103)(H,92,111)(H,93,114)(H,94,110)(H,95,113)(H,96,115)(H,97,109)(H,98,112)/t38-,39-,52+,53-,59+,61-,62-,64+,65+,66+,67?,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-/m0/s1
    MOLECULAR FORMULA
    C86H100ClN11O25
    CROSS REFERENCES
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    canSAR820154
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1721.66
    AlogP2.59
    HBond donors23
    HBond acceptors36
    Atoms223
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR820154.