Compound Search
化合物数据库
基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
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4-[Bis(4-fluorophenyl)hydroxymethyl]-N-phenyl-1-piperidinebutanamide ethanedioate compound with 2-propanol PubChem CID 86745166
CC(C)O.O=C(CCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1ccccc1.O=C(O)C(=O)O -
(2S,4S)-1-{3-[2-(Acetylamino)phenoxy]-2-hydroxypropyl}-4-(4-chlorophenoxy)-2-pyrrolidinecarboxylic acid PubChem CID 86759799
CC(=O)Nc1ccccc1OCC(O)CN1C[C@@H](Oc2ccc(Cl)cc2)C[C@H]1C(=O)O.O=C(O)C(F)(F)F -
(R)-3-Acetoxy-4-(trimethylammonio)butanoate compound with 3-hydroxy-4-(trimethylammonio)butanoate (1: PubChem CID 87307948
CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)CC(O)CC(=O)[O-].Cl -
2,2,2-trifluoroacetic acid compound with 4-(((3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-((R)-2-((4-chlorobenzyl CAS 1443468-28-7 PubChem CID 89686519
CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2([C@@H](O)CNCc2ccc(Cl)cc2)CC1=O.O=C(O)C(F)(F)F -
2,3-dihydroxy-24,34,44-heptaoxid-2-en-4-one compound with 4,5-dihydroxy-34,44,54-hexaoxid-4-en-3-one CAS 1361093-61-9 PubChem CID 89890742
c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1 -
US9522910, Table 1 Compound 3: 3-{2-[2-methyl-5-({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl PubChem CID 90214276
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1nnc2cc(C(=O)O)ccn12 -
4-AZATETRACYCLO[5.3.2.0(2,10).0(3,6)]DODECA-8,11-DIEN-5-ONE COMPOUND WITH 5-AZATETRACYCLO[5.3.2.0(2,10 PubChem CID 90482078
O=C1NC2C1C1C=CC3C(C=C1)C32.O=C1NC2C3C=CC4C(C=C3)C4C12 -
4-hydroxybenzenesulfonic acid compound with 1-benzyl-4-octyl-1,4-dihydro-5H-tetraazol-5-imine (1:1) PubChem CID 90486355
CCCCCCCCn1nnn(Cc2ccccc2)c1=N.O=S(=O)(O)c1ccc(O)cc1 -
4-sulfophthalic acid compound with 1-benzyl-4-octyl-1,4-dihydro-5H-tetraazol-5-imine (1:1) PubChem CID 90486366
CCCCCCCCn1nnn(Cc2ccccc2)c1=N.O=C(O)c1ccc(S(=O)(=O)O)cc1C(=O)O -
5-[1-hydroxy-2-(4-methoxyphenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione compound with N,N-dimethyl CAS 624725-83-3 PubChem CID 90486414
CN(C)c1ccncc1.COc1ccc(CC(O)=C2C(=O)OC(C)(C)OC2=O)cc1 -
5-[1-hydroxy-2-(4-methylphenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione compound with N,N-dimethyl CAS 624725-86-6 PubChem CID 90486416
CN(C)c1ccncc1.Cc1ccc(CC(O)=C2C(=O)OC(C)(C)OC2=O)cc1 -
DIMETHYLFORMAMIDE COMPOUND WITH (5E)-5-{[3-(4-BUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-2-(2- PubChem CID 90486537
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1.CN(C)C=O -
3-METHOXY-6-METHYL-4-AZATRICYCLO[3.3.2.0(2,8)]DECA-3,6,9-TRIENE COMPOUND WITH 3-METHOXY-7-METHYL-4-AZATRICYCLO PubChem CID 90487036
COC1=NC2C=CC3C(C(C)=C2)C13.COC1=NC2C=CC3C(C=C2C)C13 -
(R)-2-(2-aminothiazol-4-yl)-N-(4-(2-((2-hydroxy-2-phenylethyl)amino)ethyl)phenyl)acetamide compound with CAS 1671885-38-3 PubChem CID 91667547
CS(C)=O.Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1 -
(R)-2-(4-((2-Ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)thio)-2-methylphenoxy)acetic acid compound with CAS 928821-40-3 PubChem CID 91758782
CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1.NCCCC[C@H](N)C(=O)O.O.O -
4-METHYLBENZENESULFONIC ACID COMPOUND WITH (1-METHYL-1,2,3,6-TETRAHYDROPYRIDIN-4-YL)BORONIC ACID (1:1 CAS 2304631-37-4 PubChem CID 91825790
CN1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.Cc1ccc(S(=O)(=O)O)cc1 -
4-(2-chloroethyl)piperazine-1-carboxylic acid compound with 2-(benzyloxy)-5-fluorobenzaldehyde and 4- CAS 208167-83-3 PubChem CID 91827940
CCC(C)C(C)(CC)C(C)CC.O=C(O)N1CCN(CCCl)CC1.O=Cc1cc(F)ccc1OCc1ccccc1 -
2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methyl-4-sulfophenyl)azo]-, sodium CAS 83763-81-9 PubChem CID 91844498
CN(CCO)CCO.Cc1cc(S(=O)(=O)O)ccc1N/N=C1\C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)C=C(S(=O)(=O)O)/C(=N/Nc3ccc(S(=O)(=O)O)cc3C)C4=O)cc2C=C1S(=O)(=O)O.[Na+] -
Chromate(1-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)] CAS 83949-55-7 PubChem CID 91844571
Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1cc([N+](=O)[O-])ccc1O.Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1ccccc1C(=O)O.NCCO.[Cr].[H+] -
4,4'-Methylenebis(3-hydroxy-2-naphthoic) acid, compound with 4-cyclohexyl-N,N,N',N'-tetraethyl-4-phenylbutane CAS 84100-20-9 PubChem CID 91844633
CCN(CC)CC(CC(c1ccccc1)C1CCCCC1)N(CC)CC.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O