canSAR824524
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
    InChI
    InChI=1S/C107H159N33O37/c1-5-51(4)87(105(174)138-75(47-141)103(172)130-66(35-50(2)3)96(165)125-63(24-29-79(113)146)94(163)137-74(107(176)177)39-55-46-119-49-121-55)139-95(164)60(12-7-9-33-109)123-92(161)64(25-30-84(151)152)128-102(171)72(44-86(155)156)134-100(169)69(41-81(115)148)132-89(158)59(11-6-8-32-108)122-90(159)61(22-27-77(111)144)124-91(160)62(23-28-78(112)145)126-98(167)68(37-53-16-20-57(143)21-17-53)131-99(168)70(42-82(116)149)133-101(170)71(43-83(117)150)135-104(173)76-13-10-34-140(76)106(175)73(38-54-45-118-48-120-54)136-93(162)65(26-31-85(153)154)127-97(166)67(36-52-14-18-56(142)19-15-52)129-88(157)58(110)40-80(114)147/h14-21,45-46,48-51,58-76,87,141-143H,5-13,22-44,47,108-110H2,1-4H3,(H2,111,144)(H2,112,145)(H2,113,146)(H2,114,147)(H2,115,148)(H2,116,149)(H2,117,150)(H,118,120)(H,119,121)(H,122,159)(H,123,161)(H,124,160)(H,125,165)(H,126,167)(H,127,166)(H,128,171)(H,129,157)(H,130,172)(H,131,168)(H,132,158)(H,133,170)(H,134,169)(H,135,173)(H,136,162)(H,137,163)(H,138,174)(H,139,164)(H,151,152)(H,153,154)(H,155,156)(H,176,177)/t51-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,87-/m0/s1
    MOLECULAR FORMULA
    C107H159N33O37
    CROSS REFERENCES
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    canSAR824524
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2498.16
    AlogP-14.21
    HBond donors47
    HBond acceptors70
    Atoms336
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824524.