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canSAR916499
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCNC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O[C@@H]3OC(CO)C(O)[C@@H](O)[C@@H]3OC3C[C@@](C)(N)[C@@H](O)C(C)O3)Oc3cccc(c3)[C@H]2OC2C[C@@](C)(N)[C@@H](O)C(C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
    InChI
    InChI=1S/C83H110ClN11O25/c1-9-10-11-12-13-14-15-16-24-89-76(108)63-47-31-44(97)32-52(99)60(47)46-27-40(20-22-51(46)98)61-77(109)95-65(80(112)93-63)69(118-58-34-82(6,86)72(104)38(4)113-58)42-18-17-19-45(26-42)115-54-29-43-30-55(70(54)120-81-71(68(103)67(102)56(36-96)117-81)119-59-35-83(7,87)73(105)39(5)114-59)116-53-23-21-41(28-48(53)84)66(101)64(94-74(106)49(88-8)25-37(2)3)79(111)90-50(33-57(85)100)75(107)91-62(43)78(110)92-61/h17-23,26-32,37-39,49-50,56,58-59,61-69,71-73,81,88,96-99,101-105H,9-16,24-25,33-36,86-87H2,1-8H3,(H2,85,100)(H,89,108)(H,90,111)(H,91,107)(H,92,110)(H,93,112)(H,94,106)(H,95,109)/t38?,39?,49-,50+,56?,58?,59?,61-,62-,63+,64-,65+,66-,67?,68-,69-,71+,72+,73+,81+,82-,83-/m1/s1
    MOLECULAR FORMULA
    C83H110ClN11O25
    CROSS REFERENCES
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    canSAR916499

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1695.74
    AlogP 2.86
    HBond donors 23
    HBond acceptors 36
    Atoms 230
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR916499.