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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azabicyclo[3.1.0]hexan-2-yl)-6-ethyl-7-((S)-4-(4-hydroxy-2- methoxy-5-methylnicotinoyl)-2-methylpiperazin-1- PubChem CID 172629925
CCc1c(N2CCN(C(=O)c3c(OC)[nH]cc(C)c3=O)C[C@@H]2C)c(=O)c2nc(N3CC[C@H]4C[C@H]43)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl -
2-(2-(dimethylamino)-6-ethyl- 7-(4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)-2,3- dimethylpiperazin-1- PubChem CID 175680381
CCc1c(N2CCN(C(=O)c3ncnc(C)c3O)[C@H](C)[C@H]2C)c(=O)c2nc(N(C)C)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl -
(dimethylamino)-6-ethyl- 7-(4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)hexahydrofuro[3,4- b]pyrazin-1( PubChem CID 175680416
CCc1c(N2CCN(C(=O)c3ncnc(C)c3O)[C@@H]3COC[C@H]32)c(=O)c2nc(N(C)C)ccc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl -
)-2-(7-(6,6-difluoro-4-(5- hydroxy-6-methylpyrimidine-4-carbonyl)octahydro-1H- cyclopenta[b]pyrazin-1- PubChem CID 175680425
CCc1c(N2CCN(C(=O)c3ncnc(C)c3O)[C@H]3CC(F)(F)C[C@@H]32)c(=O)c2nc(N(C)C)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl -
Preparation of trans-(1-(6-((1-acetylpiperidine-4-yl)amino)pyrimidine-4-carbonyl)-4-(3,4-dihydroisoquinoline PubChem CID 177373199
CCNc1cc(C(=O)N2CCC(N3CCc4ccccc4C3)[C@H](O)C2)nc(-c2ccccc2)n1 -
(5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-Heptenoic acid 1- CAS 913258-34-1 PubChem CID 5282380
CC(C)OC(=O)CCC/C=C/C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O -
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-ethenyl CAS 79350-10-0 PubChem CID 12818023
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1 -
L-Lysine, compound with L-ascorbic acid and (2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran CAS 77704-55-3 PubChem CID 54684389
NCCCC[C@H](N)C(=O)O.O=C1OC([C@@H](O)CO)C(O)=C1O.Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 -
Trans 2-{1-[2-(4-Amino-cyclohexyl)-ethyl]-piperidin-4-yloxy}-5-fluoro-benzonitrile; compound with trifluoro-acetic PubChem CID 86619958
N#Cc1cc(F)ccc1OC1CCN(CCC2CCC(N)CC2)CC1.O=C(O)C(F)(F)F -
Trans 4-{2-[4-(5-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-cyclohexylamine; compound with PubChem CID 86662064
NC1CCC(CCN2CCC(c3noc4ccc(F)cc34)CC2)CC1.O=C(O)C(F)(F)F -
trans(-)-1-Methyl-3-[1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine Hydrochloride; Paroxetine PubChem CID 129318754
CN1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1.Cl -
Entry compound 92: trans-Methyl-3-(2-(((1H- benzo[d]imidazol-2- yl)methyl)thio)-4-oxo- pteridin-3 PubChem CID 146269122
COC(=O)C1CC(n2c(SCc3nc4ccccc4[nH]3)nc3nccnc3c2=O)C1 -
Entry compound 91: trans-Methyl 3-(4-oxo-2- ((2-oxo-2-(thiazol-2- ylamino)ethyl)thio)pteridin- 3( PubChem CID 146271698
COC(=O)C1CC(n2c(SCC(=O)Nc3nccs3)nc3nccnc3c2=O)C1 -
4.2.0]octan-2-yl)-8-oxopyrido[2,3-b]pyrazin-5(8H)- yl)acetamide (single stereoisomer, first eluting compound PubChem CID 175680317
CCc1c(N2CCN(C(=O)c3ncnc(C)c3O)[C@@H]3CC[C@H]32)c(=O)c2nc(N(C)C)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl -
- (methylamino)-8-oxopyrido[2,3-b]pyrazin-5(8H)-yl)acetamide (single stereoisomer, first eluting compound PubChem CID 175680329
CCc1c(N2CCN(C(=O)c3ncnc(C)c3O)[C@H]3CC[C@@H]32)c(=O)c2nc(NC)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl -
octan-2-yl]-8- oxo-5H,8H-pyrido[2,3-b]pyrazin-5-yl}acetamide (single stereoisomer, first eluting compound PubChem CID 175680336
CCc1c(N2CCN(C(=O)c3ncnc(C)c3O)[C@@H]3CC[C@H]32)c(=O)c2nc(N(C)C3CC3)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl -
azabicyclo[3.1.0]hexan-2-yl)-6-ethyl-7-((S)-4-(4-hydroxy-2- methoxy-5-methylnicotinoyl)-2-methylpiperazin-1- PubChem CID 175680380
CCc1c(N2CCN(C(=O)c3c(OC)[nH]cc(C)c3=O)C[C@@H]2C)c(=O)c2nc(N3CC[C@@H]4C[C@@H]43)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl -
2-(2-(dimethylamino)-6-ethyl- 7-(4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)-2,3- dimethylpiperazin-1- PubChem CID 175680382
CCc1c(N2CCN(C(=O)c3ncnc(C)c3O)[C@@H](C)[C@@H]2C)c(=O)c2nc(N(C)C)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl -
4.1.0]heptan-6-yl)-8-oxopyrido[2,3-b]pyrazin-5(8H)- yl)acetamide (single stereoisomer, first eluting compound PubChem CID 175680414
CCc1c([C@@]23CCN(C(=O)c4ncnc(C)c4O)C[C@@H]2C3)c(=O)c2nc(N(C)C)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl -
(dimethylamino)-6-ethyl- 7-(4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)hexahydrofuro[3,4- b]pyrazin-1( PubChem CID 175680417
CCc1c(N2CCN(C(=O)c3ncnc(C)c3O)[C@H]3COC[C@@H]32)c(=O)c2nc(N(C)C)ccc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl