canSAR824174
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(C[N+]34CCN(CC3)CC4)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/C86H95Cl4N11O24/c1-38(2)24-54(92-5)78(111)98-69-71(106)43-10-16-58(52(89)27-43)121-60-29-45-30-61(75(60)125-85-76(74(109)73(108)62(123-85)36-101-21-18-100(19-22-101)20-23-101)124-64-34-86(4,77(110)39(3)120-64)93-35-40-6-12-47(13-7-40)119-37-41-8-14-50(87)51(88)25-41)122-59-17-11-44(28-53(59)90)72(107)70-83(116)97-68(84(117)118)49-31-46(102)32-57(104)65(49)48-26-42(9-15-56(48)103)66(80(113)99-70)96-81(114)67(45)95-79(112)55(33-63(91)105)94-82(69)115/h6-17,25-32,38-39,54-55,62,64,66-74,76-77,85,92-93,106-110H,18-24,33-37H2,1-5H3,(H11-,91,94,95,96,97,98,99,102,103,104,105,111,112,113,114,115,116,117,118)/p+1/t39?,54-,55+,62?,64?,66-,67-,68+,69-,70+,71-,72-,73?,74?,76?,77?,85?,86?/m1/s1
    MOLECULAR FORMULA
    C86H96Cl4N11O24+
    CROSS REFERENCES
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    canSAR824174
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1806.54
    AlogP4.98
    HBond donors19
    HBond acceptors35
    Atoms221
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824174.