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Flavivirus
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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...
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Quinine sulfate dihydrateCas 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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Quinine dihydrochlorideCas Number: 60-93-5 Compound CID: 91429Formula: C20H26Cl2N2O2 Molecular Weight: 397.339IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrochlorideSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Cl.ClInChIKey: NNKXWRRDHYTHFP-HZQSTTLBSA-NInChI: show moreSynonyms: Quinine 2HCl | AKOS027427032 | Quinine (dihydrochloride) | Quininedihydrochloride | (R)-(6-Methoxyquinolin-4-yl)((1S,...
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Ivermectine, Allosteric modulator of nicotinic acetylcholine receptor α7 subunit;Allosteric modulator of P2X4;Allosteric modulator of P2X7Cas Number: 70288-86-7Formula: C48H74O14 Molecular Weight: 875.09IUPAC Name: show moreSMILES: CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)CInChIKey: AZSNMRSAGSSBNP-XPNPUAGNSA-NInChI: show moreSynonyms: AKOS027470116 | AZSNMRSAGSSBNP-XPNPUAGNSA-N | HMS3712O14 | 22,23-DIHYDROAVERMECTIN B1A; IVERMECTIN | Dihydroavermecti...
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FR 180204, Inhibitor of mitogen-activated protein kinase 1;Inhibitor of mitogen-activated protein kinase 3Cas Number: 865362-74-9Formula: C18H13N7 Molecular Weight: 327.34IUPAC Name: 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amineSMILES: C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)NInChIKey: XVECMUKVOMUNLE-UHFFFAOYSA-NInChI: InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)Synonyms: AC-35916 | CCG-206837 | CHEBI:91383 | ERK inhibitor II | F1214 | MFCD14585805 | MLS006010291 | 5-(2-Phenyl-pyrazolo[1...
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NanchangmycinCas Number: 65101-87-3 Compound CID: 86278937Formula: C48H80O13 Molecular Weight: 889.1IUPAC Name: show moreSMILES: CC1CC(C(OC1C2CC(C3(O2)C(C(CC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C=C(C)C(=O)C(C)CC(C)C(=O)[O-])C)O)C)OC6CCC(C(O6)C)OC)C)C)(CO)O)C.[Na+]InChIKey: XMAIRYYXDCNFKP-SEDNIUBGSA-MInChI: show moreSynonyms: Nanchangmycin A | Sodium;(E,2S,4R,8S)-8-[(2S,5R,7S,8R,9R)-7-hydroxy-2-[(2R,4S,5S,7R,9S,10R)-2-[(2S,3S,5R,6R)-6-hydrox...
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Nafamostat MesylateCas Number: 82956-11-4Formula: C19H17N5O2·2CH4O3S Molecular Weight: 539.58IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acidSMILES: CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)NInChIKey: SRXKIZXIRHMPFW-UHFFFAOYSA-NInChI: show moreSynonyms: FUT-175 | 6-amidino-2-naphthyl 4-guanidino-benzoate dimethanesulphonate | CCG-207877 | Nafamstat | 6-AMIDINO-2-NAPHTH...
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Hymeglusin, Inhibitor of hydroxymethylglutaryl-CoA synthase 1Cas Number: 29066-42-0 Compound CID: 6440895Formula: C18H28O5 Molecular Weight: 324.41IUPAC Name: (2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acidSMILES: OC[C@@H](C1=O)[C@H](O1)CCCC[C@@H](C)C/C(C)=C/C(C)=C/C(O)=OInChIKey: ODCZJZWSXPVLAW-KXCGKLMDSA-NInChI: show moreSynonyms: Antibiotic 1233A | L-659,699 | 11-[3R-(hydroxymethyl)-4-oxo-2R-oxetanyl]-3,5,7R-trimethyl-2E,4E-undecadienoic acid | ...
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CephalotaxineCas Number: 24316-19-6Formula: C18H21NO4 Molecular Weight: 315.36IUPAC Name: (2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-olSMILES: COC1=CC23CCCN2CCC4=CC5=C(C=C4C3C1O)OCO5InChIKey: YMNCVRSYJBNGLD-KURKYZTESA-NInChI: InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1Synonyms: s3912 | BDBM50482420 | NSC-245454 | CEPHALOTAXINE [WHO-DD] | DTXCID4028206 | NCGC00160146-01 | Cephalotaxine | YMNCVR...
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Ivermectine, Allosteric modulator of nicotinic acetylcholine receptor α7 subunit;Allosteric modulator of P2X4;Allosteric modulator of P2X7Cas Number: 70288-86-7Formula: C48H74O14 Molecular Weight: 875.09IUPAC Name: show moreSMILES: CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)CInChIKey: AZSNMRSAGSSBNP-XPNPUAGNSA-NInChI: show moreSynonyms: AKOS027470116 | AZSNMRSAGSSBNP-XPNPUAGNSA-N | HMS3712O14 | 22,23-DIHYDROAVERMECTIN B1A; IVERMECTIN | Dihydroavermecti...
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3-Hydroxypyrazine-2-carboxamideCas Number: 55321-99-8Formula: C5H5N3O2 Molecular Weight: 139.12IUPAC Name: 2-oxo-1H-pyrazine-3-carboxamideSMILES: C1=CN=C(C(=O)N1)C(=O)NInChIKey: SZPBAPFUXAADQV-UHFFFAOYSA-NInChI: InChI=1S/C5H5N3O2/c6-4(9)3-5(10)8-2-1-7-3/h1-2H,(H2,6,9)(H,8,10)Synonyms: 3-hydroxypyrazine-2-amide | T-1105
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3,3′,5-Triiodothyroacetic acid, Agonist of Thyroid hormone receptor-α;Agonist of Thyroid hormone receptor-βFormula: C14H9I3O4 Molecular Weight: 621.93IUPAC Name: 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acidSMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)OInChIKey: UOWZUVNAGUAEQC-UHFFFAOYSA-NInChI: InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)Synonyms: LIOTHYRONINE SODIUM IMPURITY C [EP IMPURITY] | TIRATRICOL [WHO-DD] | CCG-213970 | NCGC00016227-01 | AMY33311 | BCP071...
