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canSAR779749
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
    InChI
    InChI=1S/C107H144N34O40/c1-3-47(2)87(141-105(178)61(27-50-14-18-55(143)19-15-50)127-91(164)59(25-48-9-5-4-6-10-48)125-88(161)56(109)20-22-75(110)144)106(179)139-69(36-81(116)150)95(168)124-58(21-23-82(151)152)90(163)123-57(11-7-8-24-108)89(162)130-64(31-76(111)145)96(169)126-60(26-49-12-16-54(142)17-13-49)92(165)131-66(33-78(113)147)98(171)134-67(34-79(114)148)99(172)133-65(32-77(112)146)97(170)128-63(29-52-42-118-45-121-52)94(167)135-71(38-84(155)156)102(175)137-70(37-83(153)154)101(174)129-62(28-51-41-117-44-120-51)93(166)132-68(35-80(115)149)100(173)136-72(39-85(157)158)103(176)138-73(40-86(159)160)104(177)140-74(107(180)181)30-53-43-119-46-122-53/h4-6,9-10,12-19,41-47,56-74,87,142-143H,3,7-8,11,20-40,108-109H2,1-2H3,(H2,110,144)(H2,111,145)(H2,112,146)(H2,113,147)(H2,114,148)(H2,115,149)(H2,116,150)(H,117,120)(H,118,121)(H,119,122)(H,123,163)(H,124,168)(H,125,161)(H,126,169)(H,127,164)(H,128,170)(H,129,174)(H,130,162)(H,131,165)(H,132,166)(H,133,172)(H,134,171)(H,135,167)(H,136,173)(H,137,175)(H,138,176)(H,139,179)(H,140,177)(H,141,178)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,180,181)/t47-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,87-/m0/s1
    MOLECULAR FORMULA
    C107H144N34O40
    CROSS REFERENCES
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    canSAR779749

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2545.03
    AlogP -15.90
    HBond donors 48
    HBond acceptors 74
    Atoms 325
    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 canSAR779749.