canSAR824973
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)O
    InChI
    InChI=1S/C117H175N25O35S/c1-62(2)52-80(132-108(167)83(55-66-22-11-9-12-23-66)134-99(158)74(28-17-20-49-120)124-98(157)73(27-16-19-48-119)125-107(166)85(57-68-30-34-70(145)35-31-68)135-102(161)76(39-43-94(151)152)127-100(159)75(38-42-93(149)150)126-101(160)78(41-45-96(155)156)129-114(173)90-29-21-50-142(90)116(175)72(121)26-15-18-47-118)104(163)128-77(40-44-95(153)154)103(162)136-86(58-69-32-36-71(146)37-33-69)110(169)140-89(61-143)113(172)137-84(56-67-24-13-10-14-25-67)109(168)138-87(59-91(122)147)111(170)133-81(53-63(3)4)105(164)131-82(54-64(5)6)106(165)139-88(60-92(123)148)112(171)141-97(65(7)144)115(174)130-79(117(176)177)46-51-178-8/h9-14,22-25,30-37,62-65,72-90,97,143-146H,15-21,26-29,38-61,118-121H2,1-8H3,(H2,122,147)(H2,123,148)(H,124,157)(H,125,166)(H,126,160)(H,127,159)(H,128,163)(H,129,173)(H,130,174)(H,131,164)(H,132,167)(H,133,170)(H,134,158)(H,135,161)(H,136,162)(H,137,172)(H,138,168)(H,139,165)(H,140,169)(H,141,171)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,176,177)/t65-,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,97+/m1/s1
    MOLECULAR FORMULA
    C117H175N25O35S
    CROSS REFERENCES
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    canSAR824973
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2522.24
    AlogP-5.64
    HBond donors39
    HBond acceptors60
    Atoms353
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824973.