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基于 PubChem CID 索引，支持名称 / 同义词 / CAS / SMILES 检索。
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(2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[(4-thiophen-3-ylbenzyl)oxy]hexanediamide (non-preferred name) PubChem CID 445307
CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(-c2ccsc2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(-c2ccsc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C -
Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 -
1-[(2Z)-5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-methylphenyl)urea CAS 428478-94-8 PubChem CID 1418650
Cc1ccc(NC(=O)Nc2nnc(COc3ccc(C)cc3C)s2)cc1 -
2-({[(4-chlorophenyl)carbonyl]carbamothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxamide CAS 841210-82-0 PubChem CID 1432799
CC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3nc4ccccc4[nH]3)cn2)c1 -
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-(2,6-dimethylbenzoyl)oxy-4-oxopentanoic acid CAS 154674-81-4 PubChem CID 9852588
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(C)cccc1C)C(C)C -
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C -
3-Quinolinecarbonitrile, 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]amino]- CAS 915365-57-0 PubChem CID 11584834
N#Cc1cnc2c(Cl)cc(NCc3cn(CCN4CCCCCC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 -
US8722895, 8: {[5-(4-Cyanophenyl)-3-hydroxypyridine-2- carbonyl]amino}-acetic acid CAS 1000025-14-8 PubChem CID 24891736
N#Cc1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1 -
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F -
(5E)-5-[[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one CAS 893449-38-2 PubChem CID 73707371
O=C1NC(=S)S/C1=C/c1cc(Br)ccc1OCc1ccccc1Br -
4-[(6-{[1,1'-biphenyl]-3-yl}-9H-purin-2-yl)amino]benzene-1-sulfonamide CAS 2079895-42-2 PubChem CID 123132899
NS(=O)(=O)c1ccc(Nc2nc(-c3cccc(-c4ccccc4)c3)c3[nH]cnc3n2)cc1 -
3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide CAS 2241813-33-0 PubChem CID 134693894
CC(C)c1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12 -
N'-[(3,5-dibromo-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-(naphthalen-2-ylamino)acetohydrazide CAS 328541-79-3 PubChem CID 136218970
O=C(CNc1ccc2ccccc2c1)NN=Cc1cc(Br)c(O)c(Br)c1O -
(11S)-16-amino-2-ethyl-6-fluoro-11-methyl-14-oxo-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0?,?.0(1)?,(2)(2)]docosa-1(21),4,6,8,15(22),16,19-heptaene-5-carbonitrile CAS 2271119-26-5 PubChem CID 137455315
CCN1Cc2c(ccc(F)c2C#N)O[C@@H](C)CNC(=O)c2c(N)nn3ccc1nc23 -
6-Chloro-3-[(1E)-3-[[(2-methoxyphenyl)methyl]amino]-3-oxo-1-propen-1-yl]-1H-indole-2-carboxylic acid, ethyl ester CAS 2349374-37-2 PubChem CID 145874872
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=C/C(=O)NCc1ccccc1OC -
Calpain Inhibitor I; MG-101; MG 101; ALLN; AcLLnLCHO; Ac-LLnL-CHO;Ac-Leu-Leu-Nle-Aldehyde;Acetylleucyl-leucyl-norleucinal CAS 110044-82-1 PubChem CID 4332
CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(C)=O -
1-Pyrrolidinecarboxylic acid, 2-[(2-formyl-1-pyrrolidinyl)carbonyl]-, phenylmethyl ester CAS 86925-97-5 PubChem CID 4350
O=CC1CCCN1C(=O)C1CCCN1C(=O)OCc1ccccc1 -
2,2,3,3,3-Pentafluoropropyl acrylate, 98%, contains 100 ppm 4-tert-butylcatechol as inhibitor CAS 356-86-5 PubChem CID 67744
C=CC(=O)OCC(F)(F)C(F)(F)F -
Vinylbenzyl chloride, mixture of 3- and 4-isomers, contains 50-100 ppm tert-butylcatechol as inhibitor CAS 1592-20-7 PubChem CID 74126
C=Cc1ccc(CCl)cc1 -
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(4-hydroxy-3,3-dimethyl-4-oxobutanoyl)oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid CAS 174022-42-5 PubChem CID 457928
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12