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Flavivirus
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Quinine hydrochlorideCas Number: 130-89-2 Compound CID: 91558Formula: C20H24N2O2.HCl Molecular Weight: 360.88IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochlorideSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.ClInChIKey: LBSFSRMTJJPTCW-DSXUQNDKSA-NInChI: show moreSynonyms: Cinchonan-9-ol, 6'-methoxy-, hydrochloride (1:?), (8alpha,9R)- | EINECS 205-001-1 | MFCD00078498 | Oprea1_423239 | QU...
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SN 2, Activator of TRPML3Cas Number: 823218-99-1 Compound CID: 11834987Formula: C17H21NO Molecular Weight: 255.35IUPAC Name: 5-(2,4,6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-eneSMILES: CC1=CC(=C(C(=C1)C)C2=NOC3C2C4CCC3C4)CInChIKey: WKLZNTYMDOPBSE-UHFFFAOYSA-NInChI: InChI=1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3Synonyms: GTPL6402 | Q27088829 | 5-mesityl-3-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-4-ene | 5-(2,4,6-trimethylphenyl)-3-oxa-4-azatr...
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QuinineCas Number: 130-95-0 EC Number: 205-003-2Formula: C20H24N2O2 Molecular Weight: 324.42IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanolSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)OInChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-NInChI: show moreSynonyms: (9R)-6'-methoxy-8alpha-cinchonan-9-ol | Quinoline alkaloid | Quinsan | (R)-[(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2....
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Quinine, Agonist of TAS2R14;Agonist of TAS2R40;Channel blocker of K 2P18.1;Channel blocker of K v2.2;Inhibitor of Plasma membrane monoamine transporterCas Number: 130-95-0 EC Number: 205-003-2Formula: C20H24N2O2 Molecular Weight: 324.42IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanolSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)OInChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-NInChI: show moreSynonyms: (9R)-6'-methoxy-8alpha-cinchonan-9-ol | Quinoline alkaloid | Quinsan | (R)-[(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2....
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Palonosetron HCl, Serotonin 3a (5-HT3a) receptor antagonistCas Number: 135729-62-3Formula: C19H24N2O·HCl Molecular Weight: 332.87IUPAC Name: (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochlorideSMILES: C1CC2CN(C(=O)C3=CC=CC(=C23)C1)C4CN5CCC4CC5.ClInChIKey: OLDRWYVIKMSFFB-SSPJITILSA-NInChI: InChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17-;/m1./s1Synonyms: Aloxi (TN) | o-Cresol, 4,4'-cyclohexylidenedi- | Palonosetron hydrochloride (Aloxi) | (3aS)-2-[(3S)-1-azabicyclo[2.2....
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ZCL 278Cas Number: 587841-73-4 Compound CID: 1791111Formula: C21H19BrClN5O4S2 Molecular Weight: 584.89IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]acetamideSMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl)CInChIKey: XKZDWYDHEBCGCG-UHFFFAOYSA-NInChI: show moreSynonyms: 2-(4-Bromo-2-chlorophenoxy)-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]acetamide
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Loratadine, Histamine H1 receptor antagonistCas Number: 79794-75-5Formula: C22H23ClN2O2 Molecular Weight: 382.88IUPAC Name: ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylateSMILES: CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1InChIKey: JCCNYMKQOSZNPW-UHFFFAOYSA-NInChI: InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3Synonyms: Fristamin | Sinhistan Dy | UNII-7AJO3BO7QN | LORATADINE COMPONENT OF CLARITIN-D | MFCD00672869 | Bonalerg | LORATADIN...
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Emricasan, Caspase inhibitorCas Number: 254750-02-2Formula: C26H27F4N3O7 Molecular Weight: 569.51IUPAC Name: (3S)-3-[[(2S)-2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acidSMILES: CC(C(=O)NC(CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2C(C)(C)CInChIKey: SCVHJVCATBPIHN-SJCJKPOMSA-NInChI: show moreSynonyms: (S)-3-((S)-2-(2-(2-TERT-BUTYLPHENYLAMINO)-2-OXOACETAMIDO)PROPANAMIDO)-4-OXO-5-(2,3,5,6-TETRAFLUOROPHENOXY)PENTANOIC A...
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Quinine sulfate dihydrate, Ferriprotoporphyrin IX inhibitorCas Number: 6119-70-6 Compound CID: 16211610Formula: C40H48N4O4.H2SO4.2H2O Molecular Weight: 782.95IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrateSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)OInChIKey: ZHNFLHYOFXQIOW-LPYZJUEESA-NInChI: show moreSynonyms: CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, SULFATE, HYDRATE (2:1:2) | QUININE SULFATE HYDRATE [JAN] | 1-propyl-3-(3...
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Mycophenolic acid, Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitorCas Number: 24280-93-1 EC Number: 246-119-3Formula: C17H20O6 Molecular Weight: 320.34IUPAC Name: (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acidSMILES: CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)OInChIKey: HPNSFSBZBAHARI-RUDMXATFSA-NInChI: InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+Synonyms: (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid | DTXCID4028882 | ...
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U-18666ACas Number: 3039-71-2 Compound CID: 9954082Formula: C25H42ClNO2 Molecular Weight: 424.06IUPAC Name: (3S,8R,9S,10R,13S,14S)-3-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one;hydrochlorideSMILES: CCN(CC)CCOC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C.ClInChIKey: GZFYZYBWLCYBMI-MYZJJQSMSA-NInChI: show moreSynonyms: hydrochloride | (3S,8R,9S,10R,13S,14S)-3-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecah...
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Quinine hydrochloride dihydrateFormula: C20H24N2O2·HCl·2H2O Molecular Weight: 396.91IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochlorideSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.ClInChIKey: MPQKYZPYCSTMEI-FLZPLBAKSA-NInChI: show moreSynonyms: AC-6224 | HY-B0433A | S2502 | FEMA NO. 2976, DIHYDRATE- | Quinine.HCl.dihydrate | (-)-Quinine hydrochloride dihydrate...
