General Information of the Compound
| Compound ID |
CP0503075
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| Compound Name |
(4S)-5-[2-[(2S,3R)-1-[(2S)-1-[(2S,3R)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(6S,9S,12S,21S)-21-[N-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S,3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[2-[(2S)-5-carbamimidamido-1-hydroxy-1-(2-hydroxy-2-iminoethyl)iminopentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]-C-hydroxycarbonimidoyl]-6-(2-carboxyethyl)-2,5,8,11,15-pentahydroxy-9-(2-methylpropyl)-1,4,7,10,16-pentazacyclohenicosa-1,4,7,10,15-pentaen-12-yl]imino]-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-2-hydroxyethyl]imino-4-[[2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxyethylidene]amino]-5-hydroxypentanoic acid
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| Synonyms |
C[Glu19-Lys23][Gly8]GLP-1(7-37)-NH2
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| Structure |
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| Formula |
C147H227N41O45
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| Molecular Weight |
3288.675
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C147H227N41O45/c1-16-76(10)118(144(231)166-79(13)123(210)175-101(58-84-61-157-88-37-24-23-36-86(84)88)134(221)177-98(55-73(4)5)135(222)185-116(74(6)7)142(229)174-90(38-25-28-50-148)126(213)160-65-109(197)167-89(41-31-53-156-147(152)153)125(212)158-63-106(151)194)187-136(223)99(56-82-32-19-17-20-33-82)178-132(219)96(45-49-114(204)205)172-130(217)92(39-26-29-51-149)170-122(209)78(12)164-121(208)77(11)165-129(216)91-40-27-30-52-155-107(195)46-42-95(131(218)176-97(54-72(2)3)133(220)171-94(44-48-113(202)203)128(215)161-66-110(198)168-91)173-139(226)103(68-189)181-141(228)105(70-191)182-143(230)117(75(8)9)186-138(225)102(60-115(206)207)179-140(227)104(69-190)183-146(233)120(81(15)193)188-137(224)100(57-83-34-21-18-22-35-83)180-145(232)119(80(14)192)184-111(199)67-162-127(214)93(43-47-112(200)201)169-108(196)64-159-124(211)87(150)59-85-62-154-71-163-85/h17-24,32-37,61-62,71-81,87,89-105,116-120,157,189-193H,16,25-31,38-60,63-70,148-150H2,1-15H3,(H2,151,194)(H,154,163)(H,155,195)(H,158,212)(H,159,211)(H,160,213)(H,161,215)(H,162,214)(H,164,208)(H,165,216)(H,166,231)(H,167,197)(H,168,198)(H,169,196)(H,170,209)(H,171,220)(H,172,217)(H,173,226)(H,174,229)(H,175,210)(H,176,218)(H,177,221)(H,178,219)(H,179,227)(H,180,232)(H,181,228)(H,182,230)(H,183,233)(H,184,199)(H,185,222)(H,186,225)(H,187,223)(H,188,224)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H4,152,153,156)/t76-,77-,78-,79-,80+,81+,87-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,116-,117-,118-,119-,120-/m0/s1
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| InChIKey |
OCOAZSDHBCONHT-VHWHDJENSA-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
Clinical Information about the Compound