canSAR1417017
FEATURES
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NAMES
    SMILES
    CCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCC)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)C(C)C
    InChI
    InChI=1S/C108H208N46O21/c1-11-13-15-45-77(155)139-65(37-25-51-129-101(112)113)86(160)137-59-79(157)141-68(40-28-54-132-104(118)119)88(162)145-71(33-17-21-47-109)94(168)151-83(63(7)8)98(172)153-81(61(3)4)96(170)148-74(43-31-57-135-107(124)125)91(165)143-67(39-27-53-131-103(116)117)85(159)128-50-24-20-35-70(93(167)150-76(100(174)175)36-19-23-49-111)144-90(164)73(42-30-56-134-106(122)123)147-92(166)75(44-32-58-136-108(126)127)149-97(171)82(62(5)6)154-99(173)84(64(9)10)152-95(169)72(34-18-22-48-110)146-89(163)69(41-29-55-133-105(120)121)142-80(158)60-138-87(161)66(38-26-52-130-102(114)115)140-78(156)46-16-14-12-2/h61-76,81-84H,11-60,109-111H2,1-10H3,(H,128,159)(H,137,160)(H,138,161)(H,139,155)(H,140,156)(H,141,157)(H,142,158)(H,143,165)(H,144,164)(H,145,162)(H,146,163)(H,147,166)(H,148,170)(H,149,171)(H,150,167)(H,151,168)(H,152,169)(H,153,172)(H,154,173)(H,174,175)(H4,112,113,129)(H4,114,115,130)(H4,116,117,131)(H4,118,119,132)(H4,120,121,133)(H4,122,123,134)(H4,124,125,135)(H4,126,127,136)/t65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,81-,82-,83-,84-/m0/s1
    MOLECULAR FORMULA
    C108H208N46O21
    CROSS REFERENCES
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    canSAR1417017
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2485.66
    AlogP-9.38
    HBond donors58
    HBond acceptors67
    Atoms383
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417017.