General Information of the Compound
| Compound ID |
CP0506260
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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-[(2S)-1-[(2S)-1-[[(3S,6S,9S,15S,24S)-24-[N-[(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]-C-hydroxycarbonimidoyl]-2,5,8,11,14,18-hexahydroxy-9-(3-hydroxy-3-iminopropyl)-3,6-dimethyl-1,4,7,10,13,19-hexazacyclotetracosa-1,4,7,10,13,18-hexaen-15-yl]imino]-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-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[Glu21-Lys26][Gly8]GLP-1(7-37)-NH2
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| Structure |
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| Formula |
C150H225N41O45
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| Molecular Weight |
3322.692
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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]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=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/C150H225N41O45/c1-16-77(10)121(147(234)169-80(13)126(213)177-104(59-86-62-160-91-35-24-23-34-89(86)91)137(224)179-100(55-74(4)5)138(225)188-119(75(6)7)145(232)176-93(36-25-27-51-151)129(216)163-66-113(202)170-92(38-29-53-159-150(155)156)128(215)161-64-110(154)199)190-139(226)102(56-83-30-19-17-20-31-83)180-134(221)98(46-50-117(207)208)175-133(220)94-37-26-28-52-158-111(200)48-44-96(131(218)164-67-114(203)172-97(43-47-109(153)198)132(219)168-78(11)124(211)167-79(12)125(212)173-94)174-135(222)99(54-73(2)3)178-136(223)101(58-85-39-41-88(197)42-40-85)181-142(229)106(69-192)184-144(231)108(71-194)185-146(233)120(76(8)9)189-141(228)105(61-118(209)210)182-143(230)107(70-193)186-149(236)123(82(15)196)191-140(227)103(57-84-32-21-18-22-33-84)183-148(235)122(81(14)195)187-115(204)68-165-130(217)95(45-49-116(205)206)171-112(201)65-162-127(214)90(152)60-87-63-157-72-166-87/h17-24,30-35,39-42,62-63,72-82,90,92-108,119-123,160,192-197H,16,25-29,36-38,43-61,64-71,151-152H2,1-15H3,(H2,153,198)(H2,154,199)(H,157,166)(H,158,200)(H,161,215)(H,162,214)(H,163,216)(H,164,218)(H,165,217)(H,167,211)(H,168,219)(H,169,234)(H,170,202)(H,171,201)(H,172,203)(H,173,212)(H,174,222)(H,175,220)(H,176,232)(H,177,213)(H,178,223)(H,179,224)(H,180,221)(H,181,229)(H,182,230)(H,183,235)(H,184,231)(H,185,233)(H,186,236)(H,187,204)(H,188,225)(H,189,228)(H,190,226)(H,191,227)(H,205,206)(H,207,208)(H,209,210)(H4,155,156,159)/t77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-,121-,122-,123-/m0/s1
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| InChIKey |
YLHNVPBGRUSXJQ-RHBBJNDVSA-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