canSAR825707
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C
    InChI
    InChI=1S/C109H190N36O29/c1-14-58(11)83(142-92(160)66(34-25-45-125-108(119)120)128-89(157)68(37-39-77(113)148)132-100(168)81(56(7)8)140-102(170)84(59(12)15-2)143-91(159)65(33-24-44-124-107(117)118)127-86(154)62(112)30-19-21-41-110)101(169)131-63(31-20-22-42-111)87(155)138-74(52-80(152)153)97(165)136-72(50-61-28-17-16-18-29-61)95(163)134-70(48-54(3)4)94(162)129-64(32-23-43-123-106(115)116)88(156)137-73(51-78(114)149)96(164)135-71(49-55(5)6)98(166)141-82(57(9)10)104(172)145-47-27-36-76(145)99(167)130-67(35-26-46-126-109(121)122)93(161)144-85(60(13)147)103(171)133-69(38-40-79(150)151)90(158)139-75(53-146)105(173)174/h16-18,28-29,54-60,62-76,81-85,146-147H,14-15,19-27,30-53,110-112H2,1-13H3,(H2,113,148)(H2,114,149)(H,127,154)(H,128,157)(H,129,162)(H,130,167)(H,131,169)(H,132,168)(H,133,171)(H,134,163)(H,135,164)(H,136,165)(H,137,156)(H,138,155)(H,139,158)(H,140,170)(H,141,166)(H,142,160)(H,143,159)(H,144,161)(H,150,151)(H,152,153)(H,173,174)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t58-,59-,60+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,81-,82-,83-,84-,85-/m0/s1
    MOLECULAR FORMULA
    C109H190N36O29
    CROSS REFERENCES
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    canSAR825707
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2467.45
    AlogP-9.98
    HBond donors49
    HBond acceptors65
    Atoms364
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR825707.