General Information of the Compound
| Compound ID |
CP0472267
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| Compound Name |
(4S)-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C140H211N39O45S
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| Molecular Weight |
3192.523
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(N)=O
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| InChI |
InChI=1S/C140H211N39O45S/c1-17-67(10)110(136(221)159-80(114(146)199)36-38-99(142)183)176-131(216)86(45-66(8)9)164-125(210)89(48-75-57-151-79-34-27-26-33-77(75)79)167-127(212)91(51-101(144)185)174-137(222)111(68(11)18-2)177-132(217)88(47-74-31-24-21-25-32-74)165-129(214)95(55-108(195)196)170-119(204)81(35-28-41-150-140(147)148)160-116(201)71(14)155-115(200)70(13)156-122(207)84(43-64(4)5)163-126(211)90(50-100(143)184)169-130(215)96(56-109(197)198)171-123(208)85(44-65(6)7)173-138(223)112(69(12)19-3)178-139(224)113(72(15)182)179-133(218)92(52-102(145)186)168-121(206)83(40-42-225-16)162-120(205)82(37-39-105(189)190)161-128(213)94(54-107(193)194)172-135(220)98(62-181)175-124(209)87(46-73-29-22-20-23-30-73)166-134(219)97(61-180)158-104(188)60-153-118(203)93(53-106(191)192)157-103(187)59-152-117(202)78(141)49-76-58-149-63-154-76/h20-27,29-34,57-58,63-72,78,80-98,110-113,151,180-182H,17-19,28,35-56,59-62,141H2,1-16H3,(H2,142,183)(H2,143,184)(H2,144,185)(H2,145,186)(H2,146,199)(H,149,154)(H,152,202)(H,153,203)(H,155,200)(H,156,207)(H,157,187)(H,158,188)(H,159,221)(H,160,201)(H,161,213)(H,162,205)(H,163,211)(H,164,210)(H,165,214)(H,166,219)(H,167,212)(H,168,206)(H,169,215)(H,170,204)(H,171,208)(H,172,220)(H,173,223)(H,174,222)(H,175,209)(H,176,216)(H,177,217)(H,178,224)(H,179,218)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H4,147,148,150)/t67-,68-,69-,70-,71-,72+,78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,110-,111-,112-,113-/m0/s1
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| InChIKey |
MOUCZOWNQBZTNK-ACXODTFVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01356, Glucagon-like peptide 1 receptor
Protein ID: PT05688, Glucagon-like peptide 2 receptor