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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4-oxo-6-(pyridin-4-yl)-9-oxa-3-azatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),5,11,13-pentaene-5-carbonitrile PubChem CID 2816447
N#Cc1c(-c2ccncc2)c2c([nH]c1=O)-c1ccccc1OC2 -
(2S)-5,7-dihydroxy-6-[(2-hydroxyphenyl)methyl]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one CAS 58777-17-6 PubChem CID 5318528
O=C1C[C@@H](c2ccccc2)Oc2cc(O)c(Cc3ccccc3O)c(O)c21 -
2H-Indol-2-one, 3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-1,3-dihydro-, (3Z)- CAS 204005-46-9 PubChem CID 5329098
Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 -
(1S,2S,5S,8R,9R,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1?,?.0(1),(1)(1).0(2),?]octadecan-7-one CAS 28957-04-2 PubChem CID 15923208
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O -
N-(2-cyclohex-1-en-1-ylethyl)-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide CAS 902448-66-2 PubChem CID 20876823
Cc1cc(C)c2c(=O)n(CC(=O)NCCC3=CCCCC3)sc2n1 -
5-(2-Furanyl)-N-(1-methyl-1H-pyrazol-4-yl)-3-isoxazolecarboxamide CAS 1241494-17-6 PubChem CID 32608144
Cn1cc(NC(=O)c2cc(-c3ccco3)on2)cn1 -
COc1ccc2c(c1)OCC/C=C/CCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@H]31)S2(=O)=O -
sulfuric acid compound with 4-[2-(dimethylamino)ethyl]phenol (1:1) dihydrate CAS 6202-17-1 PubChem CID 45049029
CN(C)CCc1ccc(O)cc1.O.O.O=S(=O)(O)O -
COC1CC(O[C@H]2CC[C@@]3(C)C(=CCC4C3C(O)[C@@H](O)[C@]3(C)[C@@H](C(C)=O)CC[C@]43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(O)C2O)C(C)O1 -
N-[5-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)-1,3-thiazol-2-yl]acetamide CAS 1333146-11-4 PubChem CID 53379596
N#Cc1cccc(-c2c[nH]c(=O)c(O)c2)c1 -
7,8-Dichloro-4-(4-methyl-1-piperazinyl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazine CAS 1429374-76-4 PubChem CID 71547762
CN1CCN(c2nc3nc(Cl)c(Cl)cc3n3cnnc23)CC1 -
(4Z)-12-[(furan-2-yl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-3,10-dioxa-12-azatricyclo[7.4.0.0^{2,6}]trideca-1,6,8-trien-5-one; 1,4-dioxane CAS 1351664-17-9 PubChem CID 71779845
C1COCCO1.COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2CN(Cc2ccco2)CO3)C1=O -
1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-4,4-dimethyl-2-(4''-(1-methyl-1H-pyrazol-4-yl)-[1,1''-biphenyl]-4-yl)-1H-imidazol-5(4H)-one PubChem CID 118125425
Cn1cc(-c2ccc(-c3ccc(C4=NC(C)(C)C(=O)N4CC4CN(C(=O)C5CC5)C4)cc3)cc2)cn1 -
Tert-butyl 3-hydroxy-4-[7-[[7-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate PubChem CID 122648880
COc1cc(C(F)(F)F)ccc1-c1c(C)sc2cnc(Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4O)c4c3OCC4)nc12 -
2-(3-METHYLPHENYL)-1-{2-[5-(PYRIDIN-3-YL)-4H-1,2,4-TRIAZOL-3-YL]PIPERIDIN-1-YL}ETHAN-1-ONE CAS 2096209-17-3 PubChem CID 124061511
Cc1cccc(CC(=O)N2CCCCC2c2nc(-c3cccnc3)n[nH]2)c1 -
(2R,4S)-1-(2-(3- acetyl-5-(2- methylpyrimidin- 5-yl)-1H-indazol- 1-yl)acetyl)-N-(6- bromopyridin-2- yl)-4- fluoropyrrolidine- 2-carboxamide CAS 1903768-17-1 PubChem CID 126642975
CC(=O)c1nn(CC(=O)N2C[C@@H](F)C[C@@H]2C(=O)Nc2cccc(Br)n2)c2ccc(-c3cnc(C)nc3)cc12 -
1-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-2-(difluoromethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzimidazole-5-carboxamide PubChem CID 130293536
CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1 -
{(2R,3S,4R,5R)-5-[4-amino-3-(3-aminoprop-1-yn-1-yl)-1H-pyrazolo[3,4- d]pyrimidin-1-yl]-3,4-dihydroxytetrahydrofuran-2-yl}methyl sulfamate PubChem CID 134501132
NCC#Cc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 -
7-((3-(Hydroxymethyl)azetidin-1-yl)methyl)-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one CAS 22105-17-5 PubChem CID 135783311
O=c1[nH]cnc2c(CN3CC(CO)C3)c[nH]c12 -
1-[4-hydroxy-2-(1-methyl-1H-pyrrol- 2-yl)-1,3-thiazol-5-yl]propan-1-one PubChem CID 136993032
CCC(=O)c1sc(-c2cccn2C)nc1O