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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6-[(1R)-1-[8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-5,6-dihydro-1,6-naphthyridin-5-one CAS 1173699-31-4 PubChem CID 44181686
COCCOc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)c(=O)c2c1 -
1-(7-hydroperoxy-5-hydroxy-6-trioxidaneyl-24,33,44,54,64,74,83,94-pentaoxolo[5,4]hexaoxin-2-yl)-14,31-trioxidan-1-one compound with hydrogen peroxide (1:1) CAS 1010413-52-1 PubChem CID 45790733
COc1c(F)ccc(F)c1C#N -
N-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide CAS 1314796-31-0 PubChem CID 53358901
O=C(CCCc1ccc2cccnc2n1)NCc1cc(-c2ccc(F)c(C(F)(F)F)c2)no1 -
N-((Vinyloxy)carbonyl)-L-serine, compound with dicyclohexylamine (1:1) CAS 39897-31-9 PubChem CID 56842373
C1CCC(NC2CCCCC2)CC1.C=COC(=O)N[C@@H](CO)C(=O)O -
US9062043, Table 20b, Compound 22 PubChem CID 57664056
O=C(O)c1ccc2c(c1)nc(NCCc1cccc(F)c1)c1ccncc12 -
Cl.NCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 -
Mirtazapine Imp. D (EP); Mirtazapine USP Related Compound A; Mirtazapine USP RC A; (14bRS)-1,2,3,4,10,14b-Hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine Maleate; Mirtazapine Imp. D (EP) as Maleate; Mirtazapine Related Compound A as Maleate; Mirtazapine Impurity D as Maleate CAS 135928-31-3 PubChem CID 70082527
O=C(O)/C=C\C(=O)O.c1ccc2c(c1)Cc1cccnc1N1CCNCC21 -
N-(3-Chloro-5-fluorophenyl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine CAS 1422955-31-4 PubChem CID 70697712
O=[N+]([O-])c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12 -
(Z)-3-[2-(Carboxymethyl)dibenzo[b,e]oxepin-11(6H)-ylidene]-N,N-dimethylpropan-1-amine Oxide (Olopatadine N-Oxide) CAS 203188-31-2 PubChem CID 71433979
C[N+](C)([O-])CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21 -
Methyl [5-(4-Methylbenzoyl)-1H-benzimidazol-2-yl]carbamate; Mebendazole Imp. F (EP); Mebendazole Related Compound F; Mebendazole Impurity F CAS 31545-31-0 PubChem CID 71750427
COC(=O)Nc1nc2ccc(C(=O)c3ccc(C)cc3)cc2[nH]1 -
US10392391, Compound I-N-112 PubChem CID 90200148
Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(C2COC2)C2CC21 -
4-bromo-5-(3,5-difluorophenoxy)-2,2-difluoro-1-imino-1-oxo-3H-1-benzothiophen-3-ol PubChem CID 118183705
N=S1(=O)c2ccc(Oc3cc(F)cc(F)c3)c(Br)c2C(O)C1(F)F -
Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2ccc(-c3ccccc3F)cc21 -
Step 1. 1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide PubChem CID 130246989
N[C@@H](c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1)C1(F)CCC1 -
(S)-3-(2-((1-(1-(3-chlorophenyl)-1H-imidazol-4-yl)cyclopropyl)amino)pyrimidin-4-yl)-4-isopropyl-1-methylimidazolidine-2-one PubChem CID 130469710
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cccc(Cl)c4)cn3)CC2)n1 -
(R or S)-5-[9-ethyl-8-(2- methylpyrimidin-5-yl)-9H- purin-6-yl]-3-methyl-3-[(1- methylethyl)amino]-1,3- dihydro-2H-indol-2-one PubChem CID 131964699
CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)C(C)(NC(C)C)C(=O)N4)ncnc21 -
2,5-Dihydroxy-4-(4-hydroxy-2-imino-1,2-dihydropteridine-6-carbonyl)-1,3,2lambda~5~-dioxaphosphinan-2-one CAS 122856-31-9 PubChem CID 135481187
Nc1nc2ncc(C(=O)C3OP(=O)(O)OCC3O)nc2c(=O)[nH]1 -
Acyclovir Impurity E;Benzyloxycarbonyl valacyclovir;Valacyclovir Related Compound E; Valaciclovir EP Impurity E; Valaciclovir USP Related Compound E CAS 124832-31-1 PubChem CID 135854994
CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21 -
Benzoic acid, 3,3'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)azo))bis(6-hydroxy-5-methyl-, potassium salt, compd. with 2,2',2''-nitrilotris(ethanol) CAS 85269-31-4 PubChem CID 136048256
Cc1cc(N=Nc2ccc(/C=C/c3ccc(N=Nc4cc(C)c(O)c(C(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(C(=O)O)c1O.OCCN(CCO)CCO.[K+] -
US9303033, B49, Table 59A, Compound 12 PubChem CID 136128026
O=c1[nH]c(O)c(/C=c2/cnn3c(=NC4CC4)cc(Nc4ncc(Cl)cc4Cl)nc23)[nH]1