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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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(2Z)-3-amino-3-((2-aminophenyl)sulfanyl)-2-(3-(hydroxy(pyridin-4-yl)methyl)phenyl)prop-2-enenitrile CAS 297744-42-4 PubChem CID 9951490
N#C/C(=C(/N)Sc1ccccc1N)c1cccc(C(O)c2ccncc2)c1 -
N-(cyanomethyl)-2-[3-(1H-indol-5-yl)phenyl]-4-methyl-pentanamide PubChem CID 10154619
CC(C)CC(C(=O)NCC#N)c1cccc(-c2ccc3[nH]ccc3c2)c1 -
1-[(Naphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol--hydrogen bromide (1/1) CAS 132836-42-1 PubChem CID 10249534
Br.Oc1cc2c(cc1O)C(Cc1cccc3ccccc13)NCC2 -
N-((3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)benzamide CAS 14086-91-0 PubChem CID 10423943
O=C(N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1 -
6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-[(prop-2-en-1-ylsulfanyl)methyl]-1,2-dihydroquinoline PubChem CID 10474264
C=CCSCC1=CC(C)(C)Nc2ccc(-c3cc(F)ccc3OC)cc21 -
Pyridine, 2,3,5-trimethyl-, 1-oxide; 2,3,5-trimethyl-1-oxido-pyridin-1-ium; 2,3,5-Trimethylpyridine N-Oxide CAS 74409-42-0 PubChem CID 10486907
Cc1cc(C)c(C)[n+]([O-])c1 -
COc1cccc2c1C(=O)C(C(C)=O)=CC2=O -
Oc1cccc(-c2cc3ccc(O)cc3s2)c1 -
(2S)-N-(cyanomethyl)-2-[3-(1H-indol-5-yl)phenyl]-4-methylpentanamide PubChem CID 11013396
CC(C)C[C@H](C(=O)NCC#N)c1cccc(-c2ccc3[nH]ccc3c2)c1 -
(2R)-N-(cyanomethyl)-2-[3-(1H-indol-5-yl)phenyl]-4-methylpentanamide PubChem CID 11067956
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2ccc3[nH]ccc3c2)c1 -
(E)-N-hydroxy-3-[1-(2-pyridin-2-ylethyl)benzoimidazol-5-yl]prop-2-enamide PubChem CID 11426810
O=C(/C=C/c1ccc2c(c1)ncn2CCc1ccccn1)NO -
9-{2-[(2,2-dimethylpropyl)amino]ethyl}-8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9H-purin-6-amine PubChem CID 11512802
COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCNCC(C)(C)C)c1 -
Methyl (E)-2-[4-chloro-2-[[4-(2-methoxyethoxy)phenoxy]methyl]phenyl]-3-methoxy-prop-2-enoate CAS 872313-42-3 PubChem CID 11611173
CO/C=C(/C(=O)OC)c1ccc(Cl)cc1COc1ccc(OCCOC)cc1 -
L-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-Methylphenyl)sulfonyl]oxy]Methyl]-1-(1H-1,2,4-triazol-1-yl)- CAS 149809-42-7 PubChem CID 11762142
Cc1ccc(S(=O)(=O)OC[C@H]2CO[C@](Cn3cncn3)(c3ccc(F)cc3F)C2)cc1 -
O=C1C=C(Nc2ccccc2)C(=O)N1 -
N-(1-(2,2-difluoro-2-(4-(trifluoromethyl)phenyl)ethyl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 98% CAS 913574-42-2 PubChem CID 11959514
FC(F)(F)c1ccc(C(F)(F)CN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1 -
3a,4,7,7a-Tetrahydro-5-(hydroxyphenyl-2-pyridinylmethyl)-7-(phenyl-2-pyridinylmethylene)-4,7-methano-1H-isoindole-1,3(2H)-dione CAS 991-42-4 PubChem CID 12399560
O=C1NC(=O)C2C3C(C(O)(c4ccccc4)c4ccccn4)=CC(/C3=C(/c3ccccc3)c3ccccn3)C12 -
3-(2-Diethylamino-ethylsulfanyl)-2-(2-diethylamino-ethylsulfanylmethyl)-1-phenyl-propan-1-one; compound with picric acid CAS 100004-38-4 PubChem CID 13418316
CC(C)(O)Cc1cc(C(F)(F)F)n[nH]1 -
endo-N-(9-Methyl-9-Azabicyclo[3.3.1]non-3-yl)-2-methyl-2H-indazole -3-carboxamide; 1-Desmethyl 2-Methyl Granisetron CAS 127472-42-8 PubChem CID 14788253
CN1C2CCCC1CC(NC(=O)c1c3ccccc3nn1C)C2 -
CCC(C)c1ccc2ccc3ccc(C(C)CC)nc3c2n1