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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1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione CAS 951-78-0 PubChem CID 13712
O=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1 -
2,6-Dimethyl-4-{5-[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5-yl]-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2 PubChem CID 122694874
Cc1nnn(C)c1-c1cnc2c3ccc(N4CC(C)S(=O)(=O)C(C)C4)nc3n([C@H](c3ccccc3)C3CCOCC3)c2c1 -
(R)-N-(1-Acryloylpiperidin-3-yl)-5-(2-methyl-4-(pyridin-2- yloxy)phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; PubChem CID 155921525
C=CC(=O)N1CCC[C@@H](NC(=O)C2=C3NC(=O)N(c4ccc(Oc5ccccn5)cc4C)C4CCNC(S2)C34)C1 -
CIS-8-Dimethylamino-1-[(1-hydroxy-cyclobutyl)-methyl]-3-[(4-hydroxy- tetrahydro-pyran-4-yl)-methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one PubChem CID 130202881
CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(O)CCS(=O)(=O)CC1)C(=O)N2CC1(O)CCC1 -
CIS-1-(Cyclopropyl-methyl)-8-dimethylamino-8-phenyl-3-(1-pyridin-4-yl- pipendin-4-yl)-1,3-diazaspiro[4.5]decan-2-one PubChem CID 130202939
CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)N1CCCS1(=O)=O)C(=O)N2CC1(O)CCC1 -
2-(5-Nitro-1H-benzo[d]imidazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione (Enantiomer 1) PubChem CID 146198296
O=C1CCC2(CCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)C2)C(=O)N1 -
(R,S)-and (R,R)-or (S,S)-and (S,R) 4-(2- hydroxy- propan-2-yl)- 5-methyl-N'- ((3-methyl- 1,2,3,5,6,7- hexahydro- s-indacen-4- yl)carbamoyl) furan-2-sul-fonimidamide PubChem CID 146450705
Cc1oc(S(N)(=O)=NC(=O)Nc2c3c(cc4c2C(C)CC4)CCC3)cc1C(C)(C)O -
32,72,74,76-TETRAFLUORO-14-METHYL-21,23-DIHYDRO-11H-4,6-DIAZA-2(4,7)-ISOINDOLA- 1(2)-IMIDAZOLA-3(1,4),7(1)-DIBENZENAHEPTAPHANE-2,35-DIONE CAS 1616428-23-9 PubChem CID 118480924
Cc1cnc(-c2ccc(-c3ccc(NC(=O)Nc4c(F)cc(F)cc4F)cc3F)c3c2C(=O)NC3)[nH]1 -
1-(2-HYDROXYETHYL)-7-(2-METHOXYETHOXY)-N-METHYL-3- OXO-7H-6-OXA-4-AZA-7(5)-INDOLA-5(2,4)-PYRIDINA-1(4)-PIPERIDINA-2(1,4)-BENZENAHEPTAPHANE-7-CARBOXAMIDE CAS 1622204-21-0 PubChem CID 78323434
CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCOC)cc21 -
2-Propenoic acid, 3-(1-((5-(1-fluoro-1-methylethyl)-3-(2,4,6-trichlorophenyl)-4-isoxazolyl)carbonyl)-3-methyl-1H-indol-4-yl)-, (2E)- CAS 1898206-17-1 PubChem CID 130306983
Cc1cn(C(=O)c2c(-c3c(Cl)cc(Cl)cc3Cl)noc2C(C)(C)F)c2cccc(/C=C/C(=O)O)c12 -
3-[8-amino-1-(4-{[4- (trifluoromethyl) pyridin-2- yl]carbamoyl}phenyl) imidazo[1,5-a]pyrazin- 3-yl]-3-methyl-1-(1- methylethyl)cyclopentane- carboxylic acid PubChem CID 121455539
CC(C)C1(C(=O)O)CCC(C)(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)C1 -
1-(6-(4-(5-Chloro-6-methyl-1H-indazol-4-yl)-3-(6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)-5-methyl-1H-pyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl)prop-2-en-1-one PubChem CID 166543397
C=CC(=O)N1CC2(CC(n3nc(N4CCn5nccc5C4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1 -
4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- {[(4- chlorophenyl)methyl][2- (dimethylamino)ethyl] amino}-1-hydroxyethyl]- 1,2,14,18,18- pentamethyl-7-oxo-8- (propan-2- yl)pentacyclo[11.8.0.0{circumflex over ()} {2,10}.0{circumflex over ()}{5,9}.0{circumflex over ()}{14,19}] henicos-8-en-17-yl]oxy}- 2,2-dimethyl-4- oxobutanoic acid CAS 1443460-91-0 PubChem CID 71580991
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)CN(CCN(C)C)Cc2ccc(Cl)cc2)CC1=O -
4-Pyridinecarboxamide, 2-((((2R)-1-(1-((4-chloro-3-methylphenyl)methyl)-4-piperidinyl)-5-oxo-2-pyrrolidinyl)carbonyl)amino)-N,N,6-trimethyl- CAS 1251528-23-0 PubChem CID 59534386
Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1 -
(S)-N-(2-(dimethylamino)-1-phenylethyl)-6,6-dimethyl-3-((2-methylthieno[3,2-d]pyrimidin-4-yl)amino)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide. HCl salt CAS 898044-15-0 PubChem CID 25227462
Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1 -
1-(6-chloro-2-((1-((1R,2S) or (1S,2R)-2-methoxycyclobutyl)- 5-methyl-1H-pyrazol-4- yl)amino)quinazolin-7-yl)-4- methylpiperidin-4-ol PubChem CID 162747734
COC1CCC1n1ncc(Nc2ncc3cc(Cl)c(N4CCC(C)(O)CC4)cc3n2)c1C -
(3S,4S) or (3R,4R) 4-[4-(6- chloro-2-{[1-(2,2-(R) or (S) difluorocyclopropyl)-5-methyl- 1H-pyrazol-4- yl]amino}quinazolin-7- yl)piperazin-1-yl]oxolan-3-ol PubChem CID 162747991
Cc1c(Nc2ncc3cc(Cl)c(N4CCN(C5COCC5O)CC4)cc3n2)cnn1C1CC1(F)F -
(3S,4S) or (3R,4R) 4-[4-(6- chloro-2-{[5-chloro-1-(2,2-(R) or (S) difluorocyclopropyl)-1H- pyrazol-4-yl]amino}quinazolin- 7-yl)piperazin-1-yl]oxolan-3-ol PubChem CID 162748021
OC1COCC1N1CCN(c2cc3nc(Nc4cnn(C5CC5(F)F)c4Cl)ncc3cc2Cl)CC1 -
2-(4-(4-Cyanophenyl)-2,5-dioxo-1-(3-(trifluoromethyl)phenyl)-1,2,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-3(4H)-yl)-N-methylacetamide PubChem CID 118694089
CNC(=O)CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)NCC2)C1c1ccc(C#N)cc1 -
Pemigatinib; 2H-Pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one, 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-1,3,4,7-tetrahydro-8-(4-morpholinylmethyl)-; 3-(2,6-Difluoro-3,5-dimethoxyphenyl)-1-ethyl-1,3,4,7-tetrahydro-8-(4-morpholinylmethyl)-2H-pyrrolo[3',2':5,6]pyrid CAS 1513857-77-6 PubChem CID 86705695
CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21