canSAR818496
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)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CN(C)C)C(O)C(O)C2OC2CC(C)(NCc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(O)C(C)O2)Oc2ccc(cc2Cl)[C@H]1O
    InChI
    InChI=1S/C82H90Cl4N10O24/c1-34(2)20-50(88-5)74(106)94-65-67(101)39-12-18-54(48(85)23-39)116-56-25-41-26-57(71(56)120-81-72(70(104)69(103)58(118-81)32-96(6)7)119-60-30-82(4,73(105)35(3)115-60)89-31-36-8-14-43(15-9-36)114-33-37-10-16-46(83)47(84)21-37)117-55-19-13-40(24-49(55)86)68(102)66-79(111)93-64(80(112)113)45-27-42(97)28-53(99)61(45)44-22-38(11-17-52(44)98)62(76(108)95-66)92-77(109)63(41)91-75(107)51(29-59(87)100)90-78(65)110/h8-19,21-28,34-35,50-51,58,60,62-70,72-73,81,88-89,97-99,101-105H,20,29-33H2,1-7H3,(H2,87,100)(H,90,110)(H,91,107)(H,92,109)(H,93,111)(H,94,106)(H,95,108)(H,112,113)/t35?,50-,51+,58?,60?,62-,63-,64+,65-,66+,67-,68-,69?,70?,72?,73?,81?,82?/m1/s1
    MOLECULAR FORMULA
    C82H90Cl4N10O24
    CROSS REFERENCES
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    canSAR818496
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1738.49
    AlogP5.39
    HBond donors19
    HBond acceptors34
    Atoms210
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR818496.