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Search results for: '20298'
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SARS-CoV-2 3CLpro-IN-2
Cas Number: 2765088-93-3Formula: C21H18F5N5O4Molecular weight: 499.39SMILES: CNC(CN1C(N/C(N(C1=O)CC2=CC(F)=C(C(F)=C2)F)=N\\C3=C(C=C(C=C3)OC(F)F)C)=O)=O
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Remdesivir nucleoside monophosphate
Cas Number: 1911578-74-9Formula: C12H14N5O7PMolecular weight: 371.24SMILES: C1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)COP(=O)(O)O)O)O)C#N)NInChIKey: ZBHOHJWLOOFLMW-LTGWCKQJSA-NInChI: InChI=1S/C12H14N5O7P/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(24-12)3-23-25(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1
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SARS-CoV-2-IN-7
Cas Number: 2570461-66-2Formula: C14H8F3NOSeMolecular weight: 342.17SMILES: O=C1C2=CC=CC=C2[Se]N1C3=CC=CC(C(F)(F)F)=C3
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AT-9010 tetrasodium
Cas Number: 1621884-18-1Formula: C11H13FN5Na4O13P3Molecular weight: 627.13SMILES: O[C@H]1[C@](F)(C)[C@H](N2C3=C(C(N=C(N3)N)=O)N=C2)O[C@@H]1COP(OP(OP(O[Na])(O[Na])=O)(O[Na])=O)(O[Na])=O
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RdRP-IN-2
Formula: C33H30N2O5SMolecular weight: 566.67SMILES: O=C(O)[C@H](CC1=CC=CC=C1)NC(C(C=C2C3=CC=CC=C3)=C(SC4=CC=C(OC5CCCCC5)C=C46)N6C2=O)=O
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Methylprednisolone-d7
Formula: C22H23D7O5Molecular weight: 381.51SMILES: O=C1C([2H])=C[C@@]2([C@]3([C@]([2H])(C([2H])([C@@]4([C@@](C(CO)=O)(CC[C@]4([C@@]3(C[C@@]([2H])(C2=C1[2H])C)[H])[H])O)C)[2H])O)[2H])C
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Ivermectin B1a
Cas Number: 71827-03-7(DMSO)Formula: C48H74O14Molecular weight: 875.09SMILES: 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)C
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Anti-SARS-CoV-2 Spike mAb (CR3022)
SMILES: [Anti-SARS-CoV-2 Spike mAb (CR3022)]
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MERS-CoV-IN-1
Cas Number: 2245697-92-9Formula: C19H17NO2Molecular weight: 291.34SMILES: NC1=C(C=CC=C1)COC(C=C2)=CC=C2OC3=CC=CC=C3
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FASN-IN-4 tosylate
Cas Number: 2095432-57-6(DMSO)Formula: C33H35N3O7S2Molecular weight: 649.78SMILES: OS(C1=CC=C(C)C=C1)(=O)=O.O=C2COC3(CCN(S(=O)(C4=CC=C(C5=CC=C6C=CC=NC6=C5)C=C4)=O)CC3)CN2C7CC7
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TAPI-2
Cas Number: 187034-31-7Formula: C19H37N5O5Molecular weight: 415.5Synonyms: TNF Protease Inhibitor 2SMILES: CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)CInChIKey: LMIQCBIEAHJAMZ-RMTCENKZSA-NInChI: InChI=1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)/t12-,13?,15+/m0/s1
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Molnupiravir-d7
Formula: C13H12D7N3O7Molecular weight: 336.35SMILES: O=C(N([C@@]1([H])[C@H](O)[C@H](O)[C@@]([H])(COC(C(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])=O)O1)C=C2)NC2=NO
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Ritonavir-d6
Cas Number: 1616968-73-0Formula: C37H42D6N6O5S2Molecular weight: 726.98SMILES: O[C@@H](C[C@H](CC1=CC=CC=C1)NC([C@@H](NC(N(CC2=CSC(C(C([2H])([2H])[2H])C([2H])([2H])[2H])=N2)C)=O)C(C)C)=O)[C@H](CC3=CC=CC=C3)NC(OCC4=CN=CS4)=O
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Imiquimod hydrochloride
Cas Number: 99011-78-6(DMSO)Formula: C14H17ClN4Molecular weight: 276.76SMILES: CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N.Cl
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PB 28 dihydrochloride
Cas Number: 172907-03-8Formula: C₂₄H₃₈N₂O.₂HClMolecular weight: 443.5Synonyms: HY-108511 | BP177452 | PB28 dihydrochloride, >=98% (HPLC), solid | EC-000.2424 | J-010863 | PB28 (di...SMILES: O=C1C=C(C)C(/C(C)=N/C2=C(N)C=CC=C2)=C(O)N1O.Cl.ClInChIKey: DSRBJOQIBXACIV-UHFFFAOYSA-N
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Clofoctol
Cas Number: 37693-01-9Formula: C21H26Cl2OMolecular weight: 365.34Synonyms: KBio2_002013 | KBio2_004581 | SR-01000872766 | IDI1_000426 | SBI-0051786.P002 | SPECTRUM1503206 | 70...SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)ClInChIKey: HQVZOORKDNCGCK-UHFFFAOYSA-NInChI: InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3
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Ketotifen-d3fumarate
Cas Number: 1795138-23-6Formula: C23H20D3NO5SMolecular weight: 428.52SMILES: C(=CC(O)=O)C(O)=O.O=C1C2=C(C(C=3C(C1)=CC=CC3)=C4CCN(C([2H])([2H])[2H])CC4)C=CS2
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SARS-CoV-IN-2
Cas Number: 888958-26-7(DMSO)Formula: C24H18ClFeN3OMolecular weight: 455.72SMILES: CN(CCO)CC12=C3[Fe+2]1456789([C-]%10C6=C7C8=C9%10)[C-]2(C4=C53)CNC%11=CC=NC%12=C%11C=CC(Cl)=C%12
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1-Lauroyl-rac-glycerol
Cas Number: 142-18-7Formula: C15H30O4Molecular weight: 274.4Synonyms: Tox21_112159 | AI3-03482 | Glycerol monolaurate | Glycerox L 8 | Glyceryl monododecanoate | (+-)-2,3...SMILES: CCCCCCCCCCCC(=O)OCC(CO)OInChIKey: ARIWANIATODDMH-UHFFFAOYSA-NInChI: InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3
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XR8-89
Cas Number: 2817811-16-6Formula: C29H36N4O2SMolecular weight: 504.69SMILES: CC1=CC=C(NC2CNC2)C=C1C(N[C@H](C)C3=CC=CC(C4=CC=C(S4)CN[C@@H]5C[C@H](O)CC5)=C3)=O
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CCF0058981
Formula: C24H19ClN6OMolecular weight: 442.9SMILES: O=C(N(C1=CC=C(C2=CNC=N2)C=C1)CC3=CC=CC(Cl)=C3)CN4N=NC5=CC=CC=C54
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TH 1217
Cas Number: 1862212-48-3Formula: C20H17BCl2N4O6Molecular weight: 491.09Synonyms: 2-[4-[[5,6-Dichloro-2-methyl-4-nitro-1H-benzo[d]-imidazol-1-yl]methyl]phenyl]-6-methyl-1,3,6,2-dioxa...SMILES: CC1=NC2=C([N+]([O-])=O)C(Cl)=C(C=C2N1CC3=CC=C([B-]45OC(C[N+](CC(O5)=O)4C)=O)C=C3)ClInChIKey: HWFRCQHNILGMLL-UHFFFAOYSA-N
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ML188
Cas Number: 1417700-13-0Formula: C26H31N3O3Molecular weight: 433.5SMILES: CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)C3=CC=CO3InChIKey: JXGIYKRRPGCLFV-JOCHJYFZSA-NInChI: InChI=1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)/t22-/m1/s1
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