canSAR823931
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
    InChI
    InChI=1S/C115H197N29O35/c1-17-59(11)89(140-102(165)75(40-44-86(152)153)128-96(159)69(30-22-26-46-117)129-109(172)90(60(12)18-2)142-107(170)79(54-87(154)155)135-98(161)68(29-21-25-45-116)126-104(167)76(50-57(7)8)134-105(168)77(51-58(9)10)133-99(162)72(37-41-82(121)148)125-95(158)67(120)49-56(5)6)110(173)132-74(39-43-84(123)150)103(166)143-93(63(15)145)113(176)130-70(31-23-27-47-118)97(160)127-73(38-42-83(122)149)101(164)141-92(62(14)20-4)112(175)137-80(55-88(156)157)108(171)144-94(64(16)146)114(177)131-71(32-24-28-48-119)100(163)139-91(61(13)19-3)111(174)136-78(53-85(124)151)106(169)138-81(115(178)179)52-65-33-35-66(147)36-34-65/h33-36,56-64,67-81,89-94,145-147H,17-32,37-55,116-120H2,1-16H3,(H2,121,148)(H2,122,149)(H2,123,150)(H2,124,151)(H,125,158)(H,126,167)(H,127,160)(H,128,159)(H,129,172)(H,130,176)(H,131,177)(H,132,173)(H,133,162)(H,134,168)(H,135,161)(H,136,174)(H,137,175)(H,138,169)(H,139,163)(H,140,165)(H,141,164)(H,142,170)(H,143,166)(H,144,171)(H,152,153)(H,154,155)(H,156,157)(H,178,179)/t59-,60-,61-,62-,63+,64+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,89-,90-,91-,92-,93-,94-/m0/s1
    MOLECULAR FORMULA
    C115H197N29O35
    CROSS REFERENCES
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    canSAR823931
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2544.45
    AlogP-7.87
    HBond donors45
    HBond acceptors64
    Atoms376
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823931.