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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-(2,1,3-Benzoxadiazol-4-yl)-2,6-dimethyl-3,5-pyridinedicarboxylic Acid Methyl 1-Methylethyl Ester; 4-(4-Benzofurazanyl)-2,6-dimethyl CAS 116169-18-7 PubChem CID 10406778
COC(=O)c1c(C)nc(C)c(C(=O)OC(C)C)c1-c1cccc2nonc12 -
FC(F)=C(OCCl)C(F)(F)F -
ClC(Cl)Cl.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd] -
(1S,13S,15S,16S)-16-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-15-ol CAS 642-52-4 PubChem CID 11087935
CO[C@H]1C=C2[C@H]3CN(Cc4cc5c(cc43)OCO5)[C@H]2C[C@@H]1O -
4-[7-(3-aminopropoxy)-1-ethyl-4-phenyl-1H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine PubChem CID 11245934
CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCN)c21 -
19-methyl-3-(propan-2-yl)-7-(pyrimidin-2-yloxy)-3,13,19,20-tetraazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one PubChem CID 11305809
CC(C)n1c2ccc(Oc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 -
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one PubChem CID 11408036
O=C1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CCN1CC(F)(F)F -
Methanone, (2-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)- CAS 141645-16-1 PubChem CID 11473234
CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(O)cc1 -
Clc1nc2ccccc2c2sccc12 -
3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]pyrazole-5-carboxylic acid((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-amide PubChem CID 11847343
O=C(Nc1n[nH]c2cc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)sc12)c1ccc(N2CCOCC2)cc1 -
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate CAS 74041-85-3 PubChem CID 11849104
CC(=O)O[C@H]1[C@@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C -
9H-Purine-2,6-diamine, N2-[(1R,2S)-2-aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethyl-, monohydrochloride, rel- (9CI) CAS 481724-82-7 PubChem CID 11957495
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21.Cl -
(2S)-2-azaniumyl-4-({[ammonio(imino)methyl]amino}oxy)butanoate hydrogen sulfate CAS 2219-31-0 PubChem CID 11957500
NC(N)=NOCC[C@H](N)C(=O)O.O=S(=O)(O)O -
SULFURIC ACID COMPOUND WITH 3-METHYLPIPERIDINE-1-CARBOXIMIDAMIDE (1 CAS 132856-77-0 PubChem CID 12011844
CC1CCCN(C(=N)N)C1 -
9-Methyl-4,5-dioxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-2-carboxylic acid CAS 63768-49-0 PubChem CID 12724100
Cc1ccc2[nH]c(=O)c3c(=O)cc(C(=O)O)oc3c2c1 -
1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-one--hydrogen chloride (1/1) CAS 98164-08-0 PubChem CID 12747879
Cl.O=C(Cn1ccnc1)c1ccc(Cl)cc1Cl -
Cc1cc(=O)oc2c(C=O)c(O)ccc12 -
(5S,5aS,8aR,9S)-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol CAS 59684-34-3 PubChem CID 13943342
CC1(C)CC2C(O)c3cocc3CC(C)(O)C2C1 -
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)[C@@H]([N+]5(C)CCCCC5)C[C@@H]34)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1.[Br-].[Br-] -
1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1,7-dihydroxy-9a,11a-dimethyl-8-(piperidin-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-methylpiperidin-1-ium CAS 745736-02-1 PubChem CID 14029410
C[C@]12C[C@H](N3CCCCC3)[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H]([N+]3(C)CCCCC3)C[C@@H]12