canSAR817401
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)NC(=O)[C@@H](CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@H](c2ccc(O)cc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)Cc2ccc(Cl)cc2)[C@@H](C(N)=O)OC(=O)[C@H](c2ccc(O)c(Cl)c2)NC(=O)[C@@H](C)NC1=O
    InChI
    InChI=1S/C120H151Cl2N21O39/c1-54(2)45-77-108(167)129-56(5)103(162)143-94(66-29-42-80(152)74(122)48-66)118(177)181-100(102(126)161)73(50-127-105(164)79(49-83(125)153)130-84(154)47-60-17-30-67(121)31-18-60)104(163)138-90(62-21-34-69(149)35-22-62)114(173)133-76(16-12-44-124)106(165)135-86(55(3)4)111(170)141-93(64-25-38-71(151)39-26-64)117(176)142-92(63-23-36-70(150)37-24-63)116(175)136-87(57(6)146)112(171)134-78(46-59-13-9-8-10-14-59)109(168)132-75(15-11-43-123)107(166)139-91(115(174)137-88(58(7)147)113(172)140-89(61-19-32-68(148)33-20-61)110(169)128-51-85(155)131-77)65-27-40-72(41-28-65)178-120-101(98(159)96(157)82(53-145)180-120)182-119-99(160)97(158)95(156)81(52-144)179-119/h8-10,13-14,17-42,48,54-58,73,75-79,81-82,86-101,119-120,144-152,156-160H,11-12,15-16,43-47,49-53,123-124H2,1-7H3,(H2,125,153)(H2,126,161)(H,127,164)(H,128,169)(H,129,167)(H,130,154)(H,131,155)(H,132,168)(H,133,173)(H,134,171)(H,135,165)(H,136,175)(H,137,174)(H,138,163)(H,139,166)(H,140,172)(H,141,170)(H,142,176)(H,143,162)/t56-,57-,58-,73+,75-,76-,77+,78+,79+,81-,82-,86-,87+,88-,89+,90-,91+,92-,93+,94+,95-,96-,97+,98+,99+,100+,101+,119-,120+/m1/s1
    MOLECULAR FORMULA
    C120H151Cl2N21O39
    CROSS REFERENCES
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    canSAR817401
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2579.99
    AlogP-6.09
    HBond donors39
    HBond acceptors60
    Atoms333
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR817401.