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SARS-CoV
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Ritonavir, Cytochrome P450 3A inhibitorCas Number: 155213-67-5 Compound CID: 392622Formula: C37H48N6O5S2 Poids moléculaire: 720.94Nom IUPAC: show moreSMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)OInChIKey: NCDNCNXCDXHOMX-XGKFQTDJSA-NInChI: show moreSynonymes: 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-di...
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GNF-2Cas Number: 778270-11-4Formula: C18H13F3N4O2 Poids moléculaire: 374.32Nom IUPAC: 3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamideSMILES: C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)FInChIKey: WEVYNIUIFUYDGI-UHFFFAOYSA-NInChI: InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)Synonymes: HMS3265C23 | Bcr-abl inhibitor GNF-2 | HMS3333I20 | SB19395 | SW219739-1 | 3-[6-(4-trifluoromethoxyphenyl-amino)-pyri...
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Quipazine dimaleateCas Number: 150323-78-7 Compound CID: 6420043Formula: C13H15N3.2C4H4O4 Poids moléculaire: 445.43Nom IUPAC: (Z)-but-2-enedioic acid;2-piperazin-1-ylquinolineSMILES: C1CN(CCN1)C2=NC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)OInChIKey: VAOSOCRJSSWBEQ-SPIKMXEPSA-NInChI: InChI=1S/C13H15N3.2C4H4O4/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;2*5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-Synonymes: HMS2096L16 | 2-(1-Piperazinyl)quinoline Dimaleate; 2-(1-Piperazinyl)quinoline (Z)-2-Butenedioate (1:2) | HMS3411K14 |...
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GS 441524Cas Number: 1191237-69-0 Numéro CE: 857-885-9Formula: C12H13N5O4 Poids moléculaire: 291.27Nom IUPAC: (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrileSMILES: C1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)CO)O)O)C#N)NInChIKey: BRDWIEOJOWJCLU-LTGWCKQJSA-NInChI: InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1Synonymes: 1BQK176DT6 | BS-14744 | EN300-26870141 | AC-31365 | CHEBI:147281 | Z3952165305 | ZB1788 | reacted form | U08 | EN300-...
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Z-GuggulsteroneCas Number: 39025-23-5Formula: C21H28O2 Poids moléculaire: 312.45Nom IUPAC: (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dioneSMILES: CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)CInChIKey: WDXRGPWQVHZTQJ-OSJVMJFVSA-NInChI: show moreSynonymes: AVQFHKYAVVQYQO-UHFFFAOYSA- | 6CST3U34GN | GUGGULSTERONE Z [USP-RS] | NCGC00260067-01 | Z/E-Guggulsterone | AC-28813 |...
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MPro 13bCas Number: 2412965-59-2Formula: C₃₁H₃₉N₅O₇ Poids moléculaire: 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-NSynonymes: 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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Lopinavir, Human immunodeficiency virus type 1 protease inhibitorCas Number: 192725-17-0Formula: C37H48N4O5 Poids moléculaire: 628.8Nom IUPAC: (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamideSMILES: CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)OInChIKey: KJHKTHWMRKYKJE-SUGCFTRWSA-NInChI: show moreSynonymes: ABT-378 | (2S)-N-[(2R,4S,5S)-5-[[2-(2,6-DIMETHYLPHENOXY)ACETYL]AMINO]-4-HYDROXY-1,6-DIPHENYL-HEXAN-2-YL]-3-METHYL-2-(...
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Remdesivir, Replicase polyprotein 1ab inhibitorCas Number: 1809249-37-3 Compound CID: 121304016Formula: C27H35N6O8P Poids moléculaire: 602.58Nom IUPAC: show moreSMILES: CCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4InChIKey: RWWYLEGWBNMMLJ-YSOARWBDSA-NInChI: show moreSynonymes: compound 4b [PMID: 28124907] | SCHEMBL17712225 | GS5734 | GS-5734 | HB9521 | (2S)-2-{(2R,3S,4R,5R)-[5-(4-Aminopyrrolo...
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Narlaprevir, Hepatitis C virus serine protease, NS3/NS4A inhibitorCas Number: 865466-24-6Formula: C36H61N5O7S Poids moléculaire: 707.96Nom IUPAC: show moreSMILES: CCCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)CInChIKey: RICZEKWVNZFTNZ-LFGITCQGSA-NInChI: show moreSynonymes: Narlaprevir (USAN/INN) | SY022597 | TXMRAEGWZZVGIH-UHFFFAOYSA-M | SY021196 | BDBM50537558 | MS-31189 | (1R,2S,5S)-3-(...
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PB 28 dihydrochlorideCas Number: 172907-03-8 Compound CID: 46861545Formula: C₂₄H₃₈N₂O.₂HCl Poids moléculaire: 443.5SMILES: O=C1C=C(C)C(/C(C)=N/C2=C(N)C=CC=C2)=C(O)N1O.Cl.ClInChIKey: DSRBJOQIBXACIV-UHFFFAOYSA-NSynonymes: HY-108511 | BP177452 | PB28 dihydrochloride, >=98% (HPLC), solid | EC-000.2424 | J-010863 | PB28 (dihydrochloride) | ...
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EmodinCas Number: 518-82-1Formula: C15H10O5 Poids moléculaire: 270.24Nom IUPAC: 1,3,8-trihydroxy-6-methylanthracene-9,10-dioneSMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OInChIKey: RHMXXJGYXNZAPX-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3Synonymes: EMO | Frangula emodin | MEGxp0_000460 | 1,3,8-Trihydroxy-6-methylanthraquinone | C.I. Natural Yellow 14 | Lopac-E-788...
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MK-5172, Hepatitis C virus serine protease, NS3/NS4A inhibitorCas Number: 1350514-68-9Formula: C38H50N6O9S Poids moléculaire: 766.9Nom IUPAC: show moreSMILES: CC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCCC7CC7OC(=O)N1InChIKey: OBMNJSNZOWALQB-NCQNOWPTSA-NInChI: show moreSynonymes: AC-29227 | EN300-19880554 | UNII-8YE81R1X1J | (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)ca...