Compound Search
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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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Levothyroxine Related Compound (2-Amino-3-(3,5-diiodo-4-(4-methoxyphenoxy)phenyl)propanoic acid) CAS 94345-95-6 PubChem CID 15227800
COc1ccc(Oc2c(I)cc(C[C@H](N)C(=O)O)cc2I)cc1 -
4-Pyrimidineethanol, alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl CAS 137234-63-0 PubChem CID 15230631
C[C@H](c1ncncc1F)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F -
3-Chloro-4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one; Compound PubChem CID 15490961
O=C1c2ccccc2OC=C(Cl)N1CCCCN1CCC=C(c2ncccn2)C1 -
NCC=C=Cc1ccccc1 -
(3S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine CAS 177472-30-9 PubChem CID 16202671
CCOC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@@H]2C -
2-(4-Chloro-benzyl)-2-aza-spiro[4.5]decane-4-carboxylic acid; compound with methane 1HCl salt PubChem CID 16243749
O=C(O)C1CN(Cc2ccc(Cl)cc2)CC12CCCCC2 -
2-(4-Fluoro-benzyl)-2-aza-spiro[4.5]decane-4-carboxylic acid; compound with methane 1HCl salt PubChem CID 16243754
O=C(O)C1CN(Cc2ccc(F)cc2)CC12CCCCC2 -
(1S,5S)-2,6-dimethyl-2-(3-methylbut-2-en-1-yl)-4-(p-tolyl)-3-oxabicyclo[3.3.1]non-6-ene compound with PubChem CID 16396427
C=C1CC[C@H]2C[C@@H]1C(c1ccc(C)cc1)OC2(C)CC=C(C)C.CC(C)=CCC1(C)OC(c2ccc(C)cc2)[C@H]2C[C@@H]1CC=C2C -
4-methyl-2-oxo-2H-chromen-7-yl heptanoate compound with 7-hydroxy-4-methyl-2H-chromen-2-one (1:1) CAS 1062559-00-5 PubChem CID 16396532
CCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1.Cc1cc(=O)oc2cc(O)ccc12 -
4-((1R,5R)-4,4-dimethyl-8-methylene-3-oxabicyclo[3.3.1]nonan-2-yl)-N,N-dimethylaniline compound with CAS 1212489-27-4 PubChem CID 16396849
C=C1CC[C@@H]2C[C@H]1C(c1ccc(N(C)C)cc1)OC2(C)C.CC1=CC[C@@H]2C[C@H]1C(c1ccc(N(C)C)cc1)OC2(C)C -
4-hydroxy-7-methyl-9-(2-oxopropoxy)-5H-furo[3,2-g]chromen-5-one compound with 9-hydroxy-4-methoxy-7-methyl CAS 1076224-74-2 PubChem CID 16407077
CC(=O)COc1c2occc2c(O)c2c(=O)cc(C)oc12.COc1c2ccoc2c(O)c2oc(C)cc(=O)c12 -
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(2-fluorophenyl)piperazine-1-carbothioamide CAS 1172760-10-9 PubChem CID 16644021
CCO.Cc1c(NC(=S)N2CCN(c3ccccc3F)CC2)c(=O)n(-c2ccccc2)n1C -
2-((5-(3-chlorobenzo[b]thiophen-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide compound PubChem CID 16644024
COc1ccc(-n2c(SCC(N)=O)nnc2-c2sc3ccccc3c2Cl)cc1.N#Cc1ccccc1 -
2-mercapto-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile compound with 4-methylmorpholine CAS 1330296-44-0 PubChem CID 16806054
CN1CCOCC1.N#CC1=C(S)NC(=O)CC1c1ccccc1[N+](=O)[O-] -
2-((2-aminoethyl)amino)-4-((2,5-dimethylphenyl)amino)-4-oxobutanoic acid compound with oxalic acid (1 CAS 1393654-54-0 PubChem CID 16807006
Cc1ccc(C)c(NC(=O)CC(NCCN)C(=O)O)c1.O=C(O)C(=O)O -
N,N-dimethylformamide compound with (E)-N-(4-fluorobenzylidene)-3-methyl-5-(trifluoromethyl)-4H-1,2,4 CAS 1180039-21-7 PubChem CID 16807141
CN(C)C=O.Cc1nnc(C(F)(F)F)n1/N=C/c1ccc(F)cc1 -
3-Chloro-4-[4-(3-pyrimidin-2-yl-piperidin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one; Compound with PubChem CID 18328063
O=C1c2ccccc2OC=C(Cl)N1CCCCN1CCCC(c2ncccn2)C1 -
ethyl 2-((5-chloro-4-(phenylsulfonyl)thiazol-2-yl)amino)-4-phenylthiophene-3-carboxylate compound with CAS 1179410-54-8 PubChem CID 18559016
CCOC(=O)c1c(-c2ccccc2)csc1Nc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1.c1ccccc1 -
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl CAS 103532-27-0 PubChem CID 18601406
COc1ccc([C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.Cl -
1-Methyl-5-[4-(4-methyl-pentyloxy)-[1,2,5]thiadiazol-3-yl]-1,2,3,6-tetrahydro-pyridine; compound with PubChem CID 18920296
CC(C)CCCOc1nsnc1C1=CCCN(C)C1