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canSAR785536
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)C(C)C)[C@@H](C)CC
    InChI
    InChI=1S/C110H183N29O31/c1-13-61(11)88(119)106(165)129-70(34-22-27-45-115)97(156)133-76(51-82(117)143)102(161)127-66(30-18-23-41-111)93(152)124-67(31-19-24-42-112)94(153)131-73(47-58(5)6)100(159)128-71(39-40-86(147)148)98(157)125-68(32-20-25-43-113)95(154)130-72(46-57(3)4)99(158)126-69(33-21-26-44-114)96(155)134-77(52-83(118)144)105(164)139-91(62(12)14-2)109(168)138-90(60(9)10)108(167)136-80(56-140)92(151)120-54-84(145)123-78(53-87(149)150)103(162)132-74(48-63-28-16-15-17-29-63)104(163)137-89(59(7)8)107(166)121-55-85(146)122-75(50-81(116)142)101(160)135-79(110(169)170)49-64-35-37-65(141)38-36-64/h15-17,28-29,35-38,57-62,66-80,88-91,140-141H,13-14,18-27,30-34,39-56,111-115,119H2,1-12H3,(H2,116,142)(H2,117,143)(H2,118,144)(H,120,151)(H,121,166)(H,122,146)(H,123,145)(H,124,152)(H,125,157)(H,126,158)(H,127,161)(H,128,159)(H,129,165)(H,130,154)(H,131,153)(H,132,162)(H,133,156)(H,134,155)(H,135,160)(H,136,167)(H,137,163)(H,138,168)(H,139,164)(H,147,148)(H,149,150)(H,169,170)/t61-,62-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,88-,89-,90-,91-/m0/s1
    MOLECULAR FORMULA
    C110H183N29O31
    CROSS REFERENCES
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    canSAR785536

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2406.36
    AlogP -8.35
    HBond donors 43
    HBond acceptors 60
    Atoms 353
    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 canSAR785536.