canSAR1086984
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@](C)(C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](C[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)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)(NCc3ccc(Oc4ccccc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O
    InChI
    InChI=1S/C88H102Cl2N10O26/c1-38(2)24-55(93-8)78(111)98-70-71(106)44-18-23-60(54(90)27-44)123-62-29-45-28-61(74(62)126-84-75(73(108)72(107)63(37-101)124-84)125-65-35-87(6,77(110)40(4)120-65)94-36-41-14-19-48(20-15-41)121-47-12-10-9-11-13-47)122-59-22-17-42(26-53(59)89)52(32-49-34-86(5,92)76(109)39(3)119-49)88(7)85(118)99-69(83(116)117)51-30-46(102)31-58(104)66(51)50-25-43(16-21-57(50)103)67(82(115)100-88)97-80(113)68(45)96-79(112)56(33-64(91)105)95-81(70)114/h9-23,25-31,38-40,49,52,55-56,63,65,67-73,75-77,84,93-94,101-104,106-110H,24,32-37,92H2,1-8H3,(H2,91,105)(H,95,114)(H,96,112)(H,97,113)(H,98,111)(H,99,118)(H,100,115)(H,116,117)/t39-,40-,49-,52+,55+,56-,63+,65+,67+,68+,69-,70?,71+,72+,73-,75+,76-,77-,84-,86-,87-,88-/m0/s1
    MOLECULAR FORMULA
    C88H102Cl2N10O26
    CROSS REFERENCES
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    canSAR1086984
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1784.63
    AlogP4.82
    HBond donors22
    HBond acceptors36
    Atoms228
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1086984.