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Virus Protease
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NGI 1Cas Number: 790702-57-7Formula: C17H22N4O3S2 Molecular Weight: 394.51IUPAC Name: 5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylbenzamideSMILES: CC1=CN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3InChIKey: QPKGRLIYJGBKJL-UHFFFAOYSA-NInChI: InChI=1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22)Synonyms: 5-[(Dimethylamino)sulfonyl]-N-(5-methyl-2-thiazolyl)-2-(1-pyrrolidinyl)benzamide | NCGC00351072-01 | KSC-367-096-1 | ...
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N-desmethylclozapine, Allosteric modulator of M 1 receptorCas Number: 6104-71-8Formula: C17H17ClN4 Molecular Weight: 312.8IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-NInChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2Synonyms: BCP30683 | CAS_2820 | GTPL333 | UNII-1I9001LWY8 | BDBM50122054 | BRD-K10042277-001-04-3 | Desmethylclozapine | 3-chlo...
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Glycyrrhizic acid, Inhibitor of OATP1B1;Inhibitor of OATP1B3Cas Number: 1405-86-3Formula: C42H62O16 Molecular Weight: 822.93IUPAC Name: show more
SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)CInChIKey: LPLVUJXQOOQHMX-QWBHMCJMSA-NInChI: show more Synonyms: (3.BETA.,20.BETA.)-20-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-.ALPHA.-D-GLUCOPYRANOSIDU... -
RupintrivirCas Number: 223537-30-2 Compound CID: 6440352Formula: C31H39FN4O7 Molecular Weight: 598.66IUPAC Name: show more
SMILES: CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC2=CC=C(C=C2)F)CC(=O)C(C(C)C)NC(=O)C3=NOC(=C3)CInChIKey: CAYJBRBGZBCZKO-BHGBQCOSSA-NInChI: show more Synonyms: AG-7088 | AG7088 | Ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)a...
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MPro 13bCas Number: 2412965-59-2Formula: C₃₁H₃₉N₅O₇ Molecular Weight: 593.68SMILES: CC(C)(OC(NC1=CC=CN(C1=O)[C@H](C(N[C@H](C(C(NCC2=CC=CC=C2)=O)=O)C[C@@H]3CCNC3=O)=O)CC4CC4)=O)CInChIKey: NLVRHQFXQFSBQK-XWGVYQGASA-NSynonyms: tert-Butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-ox...
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Acetylsalicylic acid, Channel blocker of ASIC3;Inhibitor of COX-1;Inhibitor of COX-2Cas Number: 50-78-2 EC Number: 200-064-1Formula: C9H8O4 Molecular Weight: 180.16IUPAC Name: 2-acetyloxybenzoic acidSMILES: CC(=O)OC1=CC=CC=C1C(=O)OInChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-NInChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)Synonyms: ASA | Acesal | Acetisal | Aspirdrops | Solpyron | A.S.A. empirin | Acetosal | Benaspir | Contrheuma retard | Acido ac...
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AngelicinCas Number: 523-50-2Formula: C11H6O3 Molecular Weight: 186.16IUPAC Name: furo[2,3-h]chromen-2-oneSMILES: C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3InChIKey: XDROKJSWHURZGO-UHFFFAOYSA-NInChI: InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6HSynonyms: 4-Hydroxy-5-benzofuranacrylic acid gamma-lactone | A829042 | 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, delta-l...
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AnthraquinoneCas Number: 84-65-1 EC Number: 201-549-0Formula: C14H8O2 Molecular Weight: 208.21IUPAC Name: anthracene-9,10-dioneSMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=OInChIKey: RZVHIXYEVGDQDX-UHFFFAOYSA-NInChI: InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8HSynonyms: Anthracene,10-dihydro-9,10-dioxo- | Anthraquinone, 97% | Spectrum3_001501 | Morkit | 9,10-dihydroanthracene-9,10-dion...
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SRPIN340Cas Number: 218156-96-8 Compound CID: 2797577Formula: C18H18F3N3O Molecular Weight: 349.35IUPAC Name: N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamideSMILES: C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=NC=C3InChIKey: DWFGGOFPIISJIT-UHFFFAOYSA-NInChI: InChI=1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25)Synonyms: BCP08400 | AKOS024262286 | AS-16588 | N-(2-(Piperidin-1-yl)-5-(trifluoromethyl)phenyl)isonicotinamide | FT-0700266 | ...
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AngelicinCas Number: 523-50-2Formula: C11H6O3 Molecular Weight: 186.16IUPAC Name: furo[2,3-h]chromen-2-oneSMILES: C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3InChIKey: XDROKJSWHURZGO-UHFFFAOYSA-NInChI: InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6HSynonyms: 4-Hydroxy-5-benzofuranacrylic acid gamma-lactone | A829042 | 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, delta-l...
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Glycyrrhizicaciddipotassiumsalt,hydrateCas Number: 68797-35-3 Compound CID: 656852Formula: C42H60K2O16·xH2O Molecular Weight: 899.12(as Anhydrous)IUPAC Name: show more
SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.[K+].[K+]InChIKey: BIVBRWYINDPWKA-VLQRKCJKSA-LInChI: show more Synonyms: DIPOTASSIUM GLYCYRRHIZATE (MART.) | Q-201012 | .alpha.-D-Glucopyranosiduronic acid, (3.beta.,20.beta.)-20-carboxy-11-...
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CarmofurCas Number: 61422-45-5Formula: C11H16FN3O3 Molecular Weight: 257.27IUPAC Name: 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamideSMILES: CCCCCCNC(=O)N1C=C(C(=O)NC1=O)FInChIKey: AOCCBINRVIKJHY-UHFFFAOYSA-NInChI: InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)Synonyms: AB00698319_06 | C75879 | HA82M3RAB2 | Spectrum2_000026 | BS-17210 | 1(2H)-Pyrimidinecarboxamide, 5-fluoro-N-hexyl-3,4...
