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canSAR778469
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)O
    InChI
    InChI=1S/C111H174N28O35/c1-11-57(9)90(109(171)125-70(111(173)174)35-37-84(117)146)138-105(167)79(50-87(120)149)132-95(157)67(20-14-17-39-113)122-100(162)76(46-61-26-32-64(144)33-27-61)135-110(172)91(58(10)12-2)139-106(168)80(51-89(152)153)134-96(158)69(34-36-83(116)145)124-104(166)77(48-85(118)147)131-94(156)68(21-15-18-40-114)123-103(165)78(49-86(119)148)133-101(163)75(45-60-24-30-63(143)31-25-60)130-108(170)82(53-141)136-99(161)73(43-56(7)8)127-93(155)66(19-13-16-38-112)121-97(159)71(41-54(3)4)128-98(160)72(42-55(5)6)129-107(169)81(52-140)137-102(164)74(44-59-22-28-62(142)29-23-59)126-92(154)65(115)47-88(150)151/h22-33,54-58,65-82,90-91,140-144H,11-21,34-53,112-115H2,1-10H3,(H2,116,145)(H2,117,146)(H2,118,147)(H2,119,148)(H2,120,149)(H,121,159)(H,122,162)(H,123,165)(H,124,166)(H,125,171)(H,126,154)(H,127,155)(H,128,160)(H,129,169)(H,130,170)(H,131,156)(H,132,157)(H,133,163)(H,134,158)(H,135,172)(H,136,161)(H,137,164)(H,138,167)(H,139,168)(H,150,151)(H,152,153)(H,173,174)/t57-,58-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,90-,91-/m0/s1
    MOLECULAR FORMULA
    C111H174N28O35
    CROSS REFERENCES
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    canSAR778469

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2459.27
    AlogP -9.84
    HBond donors 45
    HBond acceptors 63
    Atoms 348
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR778469.