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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(1R,2S,4R)-N-(2-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide PubChem CID 124220219
CCN(c1ccccc1Cl)S(=O)(=O)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1.CCN(c1ccccc1Cl)S(=O)(=O)[C@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 -
7-((S)-7-amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2R)-2-fluorocyclopropyl)-4-oxo-1,4 PubChem CID 124222878
N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@H]4F)c3c2Cl)CC12CC2.N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@H]4C[C@@H]4F)c3c2Cl)CC12CC2 -
7-((R)-7-amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2R)-2-fluorocyclopropyl)-4-oxo-1,4 PubChem CID 124222879
N[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@H]4F)c3c2Cl)CC12CC2.N[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@H]4C[C@@H]4F)c3c2Cl)CC12CC2 -
nitric acid compound with 1-{4-[(4-chlorobenzyl)oxy]phenyl}-2-methyl-3-(1H-pyrazol-1-yl)-1-propanone PubChem CID 126956708
CC(Cn1cccn1)C(=O)c1ccc(OCc2ccc(Cl)cc2)cc1.O=[N+](O)O -
1-(CARBOXYMETHYL)-4-(4-PYRIDINYL)PYRIDINIUM BROMIDE COMPOUND WITH METHANOL PubChem CID 126957616
Br.CO.O=C(O)C[n+]1ccc(-c2ccncc2)cc1 -
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-1,3-dihydroisobenzofuran-5-carbonitrile oxalate CAS 1332724-03-4 PubChem CID 127263142
CN(C)CCCC1(c2ccc(F)cc2)OC(O)c2cc(C#N)ccc21.O=C(O)C(=O)O -
Ethyl Ester of Cetirizine Dihydrochloride; (RS)-2-[2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl] CAS 2732277-01-7 PubChem CID 129318507
CCOC(=O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.Cl.Cl -
2-[3-[4-(4-Chlorophenyl)piperazin-1-yl]propyl]-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one Dihydrochloride CAS 2413877-03-7 PubChem CID 129318548
Cl.Cl.O=c1n(CCCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccn12 -
trans(-)-1-Methyl-3-[1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine Hydrochloride; Paroxetine PubChem CID 129318754
CN1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1.Cl -
Compound 185: ((2S,3R)-5,5-difluoro-3-methyl-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin PubChem CID 130341946
C[C@@H]1CC(F)(F)CN(C(=O)c2nn(C)cc2-c2ccc(Cl)cc2)C1CNc1cnc(C(F)(F)F)cn1 -
Compound 68: ((2S,3R)-5,5-difluoro-3-methyl-2-(((5-(trifluoromethyl)pyrimidin-2-yl)amino)methyl)piperidin PubChem CID 130342152
C[C@@H]1CC(F)(F)CN(C(=O)c2cc(F)ccc2-n2nccn2)C1CNc1ncc(C(F)(F)F)cn1 -
7-Chloro-1-cyclopropyl-4-oxo-6-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic Acid Hydrochloride; CAS 526204-10-4 PubChem CID 131667367
Cl.O=C(O)c1cn(C2CC2)c2cc(Cl)c(N3CCNCC3)cc2c1=O -
(5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl CAS 282550-19-0 PubChem CID 131668015
[2H]C([2H])(/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O)C([2H])([2H])CC(=O)O -
2-(4-{4-[7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-piperidin-1-yl)-ethanol PubChem CID 131730667
COc1ccccc1-c1ccc2cnc(Nc3ccc(C4CCN(CCO)CC4)cc3)nn12.O=C(O)C(F)(F)F -
2-(4-{4-[7-(6-methoxy-pyridin-3-yl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-piperidin-1-yl)-ethanol PubChem CID 131730668
COc1ccc(-c2ccc3cnc(Nc4ccc(C5CCN(CCO)CC5)cc4)nn23)cn1.O=C(O)C(F)(F)F -
{4-[7-(6-Methoxy-pyridin-3-yl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-morpholin-4-yl-methanone PubChem CID 131730670
COc1ccc(-c2ccc3cnc(Nc4ccc(C(=O)N5CCOCC5)cc4)nn23)cn1.O=C(O)C(F)(F)F -
(4aS,12bS)-9-(4-Fluorophenyl)-12b-pyridin-2-ylmethyl-1,2,4a,5,6,7,9,12b-octahydro-4H-9,10-diaza-benzo PubChem CID 131734185
O=C1CC[C@@]2(Cc3ccccn3)c3cc4cnn(-c5ccc(F)cc5)c4cc3CCC[C@H]2C1.O=C1CC[C@]2(Cc3ccccn3)c3cc4cnn(-c5ccc(F)cc5)c4cc3CCC[C@@H]2C1 -
((3R,4aR,12bS)-9-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1,2,3,4,4a,5,6,7,9,12b-decahydrobenzo PubChem CID 131734186
O=C(c1ccccn1)[C@@]12CC[C@](O)(C(F)(F)F)C[C@H]1CCCc1cc3c(cnn3-c3ccc(F)cc3)cc12.O=C(c1ccccn1)[C@@]12CC[C@](O)(C(F)(F)F)C[C@H]1CCCc1cc3c(cnn3-c3ccc(F)cc3)cc12 -
(3R,4aR,12bS)-9-(4-fluorophenyl)-3-((triethylsilyl)oxy)-3-(trifluoromethyl)-1,2,3,4,4a,5,6,7,9,12b-decahydrobenzo PubChem CID 131734187
CC[Si](CC)(CC)O[C@]1(C(F)(F)F)CC[C@@]2(C#N)c3cc4cnn(-c5ccc(F)cc5)c4cc3CCC[C@@H]2C1.CC[Si](CC)(CC)O[C@]1(C(F)(F)F)CC[C@@]2(C#N)c3cc4cnn(-c5ccc(F)cc5)c4cc3CCC[C@@H]2C1 -
(4aR,12bR,E)-2-benzylidene-12b-ethyl-9-(4-fluorophenyl)-1,4,4a,5,6,7,9,12b-octahydrobenzo[6,7]cyclohepta PubChem CID 131734190
CC[C@@]12C/C(=C\c3ccccc3)C(=O)C[C@H]1CCCc1cc3c(cnn3-c3ccc(F)cc3)cc12.CC[C@]12C/C(=C\c3ccccc3)C(=O)C[C@@H]1CCCc1cc3c(cnn3-c3ccc(F)cc3)cc12