canSAR1087451
FEATURES
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NAMES
    SMILES
    C/C=C/CN(C/C=C/C)[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)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2C[C@](C)(Nc3ccc(OC)cc3)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O
    InChI
    InChI=1S/C82H94Cl2N10O26/c1-8-10-22-94(23-11-9-2)50(24-36(3)4)75(108)91-65-67(102)39-13-20-53(47(83)26-39)116-55-28-41-29-56(71(55)120-81-72(70(105)69(104)57(35-95)118-81)119-60-33-82(6,73(106)37(5)115-60)93-42-15-17-44(114-7)18-16-42)117-54-21-14-40(27-48(54)84)68(103)66-80(113)90-64(76(109)86-34-59(100)101)46-30-43(96)31-52(98)61(46)45-25-38(12-19-51(45)97)62(77(110)92-66)89-78(111)63(41)88-74(107)49(32-58(85)99)87-79(65)112/h8-21,25-31,36-37,49-50,57,60,62-70,72-73,81,93,95-98,102-106H,22-24,32-35H2,1-7H3,(H2,85,99)(H,86,109)(H,87,112)(H,88,107)(H,89,111)(H,90,113)(H,91,108)(H,92,110)(H,100,101)/b10-8+,11-9+/t37-,49-,50+,57-,60-,62+,63+,64-,65?,66-,67+,68+,69+,70-,72-,73+,81-,82-/m0/s1
    MOLECULAR FORMULA
    C82H94Cl2N10O26
    CROSS REFERENCES
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    canSAR1087451
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1704.57
    AlogP3.62
    HBond donors20
    HBond acceptors36
    Atoms214
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087451.