General Information of the Compound
| Compound ID |
CP0506259
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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-[[(3S,9S,12S,21S)-21-[[(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)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-3-(3-amino-3-oxopropyl)-9-(2-carboxyethyl)-2,5,8,11,15-pentaoxo-1,4,7,10,16-pentazacyclohenicos-12-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
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| Synonyms |
Glu20-Lys24][Gly8][GLP-1(7-37)-NH2
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| Structure |
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| Formula |
C152H228N42O47
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| Molecular Weight |
3395.743
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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]1CCCCNC(=O)CC[C@H](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)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)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/C152H228N42O47/c1-13-78(8)123(149(239)171-80(10)127(217)181-105(61-86-64-163-91-34-21-20-33-89(86)91)139(229)182-101(57-75(2)3)140(230)191-121(76(4)5)147(237)180-93(35-22-25-53-153)130(220)166-68-114(205)172-92(38-28-56-162-152(158)159)129(219)164-66-111(157)202)193-141(231)103(58-83-29-16-14-17-30-83)183-137(227)100(47-52-119(212)213)178-134(224)95(36-23-26-54-154)175-126(216)79(9)170-133(223)94-37-24-27-55-161-112(203)49-44-99(136(226)177-97(46-51-118(210)211)132(222)167-69-115(206)174-98(135(225)176-94)43-48-110(156)201)179-138(228)102(60-85-39-41-88(200)42-40-85)184-144(234)107(71-195)187-146(236)109(73-197)188-148(238)122(77(6)7)192-143(233)106(63-120(214)215)185-145(235)108(72-196)189-151(241)125(82(12)199)194-142(232)104(59-84-31-18-15-19-32-84)186-150(240)124(81(11)198)190-116(207)70-168-131(221)96(45-50-117(208)209)173-113(204)67-165-128(218)90(155)62-87-65-160-74-169-87/h14-21,29-34,39-42,64-65,74-82,90,92-109,121-125,163,195-200H,13,22-28,35-38,43-63,66-73,153-155H2,1-12H3,(H2,156,201)(H2,157,202)(H,160,169)(H,161,203)(H,164,219)(H,165,218)(H,166,220)(H,167,222)(H,168,221)(H,170,223)(H,171,239)(H,172,205)(H,173,204)(H,174,206)(H,175,216)(H,176,225)(H,177,226)(H,178,224)(H,179,228)(H,180,237)(H,181,217)(H,182,229)(H,183,227)(H,184,234)(H,185,235)(H,186,240)(H,187,236)(H,188,238)(H,189,241)(H,190,207)(H,191,230)(H,192,233)(H,193,231)(H,194,232)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,158,159,162)/t78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,121-,122-,123-,124-,125-/m0/s1
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| InChIKey |
PAMPKNPMNUNCAF-KXYXCEFHSA-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