canSAR819063
FEATURES
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NAMES
    SMILES
    CCOc1ccc(C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]2C(=O)N[C@H](c3ccc(O)cc3)C(=O)N[C@H](CCCN)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](c3ccc(O)cc3)C(=O)N[C@H](c3ccc(O)cc3)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](CCCN)C(=O)N[C@@H](c3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](c3ccc(O)c(Cl)c3)C(=O)O[C@@H]2C(N)=O)cc1
    InChI
    InChI=1S/C121H154ClN21O40/c1-9-178-72-40-29-66(30-41-72)104(162)133-80(50-84(125)153)106(164)127-51-74-100(102(126)160)182-119(177)94(67-31-44-81(152)75(122)49-67)143-103(161)57(6)129-109(167)78(47-55(2)3)130-85(154)52-128-111(169)89(61-19-32-68(148)33-20-61)140-114(172)88(59(8)147)137-116(174)91(65-27-42-73(43-28-65)179-121-101(98(158)96(156)83(54-145)181-121)183-120-99(159)97(157)95(155)82(53-144)180-120)139-108(166)76(17-13-45-123)131-110(168)79(48-60-15-11-10-12-16-60)134-113(171)87(58(7)146)136-117(175)92(63-23-36-70(150)37-24-63)142-118(176)93(64-25-38-71(151)39-26-64)141-112(170)86(56(4)5)135-107(165)77(18-14-46-124)132-115(173)90(138-105(74)163)62-21-34-69(149)35-22-62/h10-12,15-16,19-44,49,55-59,74,76-80,82-83,86-101,120-121,144-152,155-159H,9,13-14,17-18,45-48,50-54,123-124H2,1-8H3,(H2,125,153)(H2,126,160)(H,127,164)(H,128,169)(H,129,167)(H,130,154)(H,131,168)(H,132,173)(H,133,162)(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,143,161)/t57-,58-,59-,74+,76-,77-,78+,79+,80+,82-,83-,86-,87+,88-,89+,90-,91+,92-,93+,94+,95-,96-,97+,98+,99+,100+,101+,120-,121+/m1/s1
    MOLECULAR FORMULA
    C121H154ClN21O40
    CROSS REFERENCES
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    canSAR819063
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2576.04
    AlogP-6.27
    HBond donors39
    HBond acceptors61
    Atoms337
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR819063.