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Biochemicals
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Difenidol, Agonist of TAS2R13;Agonist of TAS2R20Cas Number: 972-02-1 Compound CID: 3055Formula:IUPAC Name: 1,1-diphenyl-4-(piperidin-1-yl)butan-1-olSMILES: OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1InChIKey: OGAKLTJNUQRZJU-UHFFFAOYSA-NInChI: InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2Synonyms: Avomol | 1-Piperidinebutanol, a,a-diphenyl- | BPBio1_000072 | DB01231 | DIPHENIDOL [HSDB] | SPBio_002283 | Difenidolo...
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Rofecoxib, Cyclooxygenase-2 inhibitorCas Number: 162011-90-7 Compound CID: 5090Formula: C17H14O4S Molecular Weight: 314.36IUPAC Name: 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-oneSMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3InChIKey: RZJQGNCSTQAWON-UHFFFAOYSA-NInChI: InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3Synonyms: HMS2093E04 | MK966 | MK-966 | SB19518 | HMS1922H11 | KBioSS_000559 | STK635144 | SCHEMBL3050 | cMAP_000024 | KBio2_00...
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Indomethacin (NSC-77541), Inhibitor of COX-1;Inhibitor of COX-2;Agonist of DP 2 receptor;Agonist of Peroxisome proliferator-activated receptor-γ;Inhibitor of Proton-coupled folate transporterCas Number: 53-86-1 EC Number: 200-186-5Formula: C19H16ClNO4 Molecular Weight: 357.79IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acidSMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OInChIKey: CGIGDMFJXJATDK-UHFFFAOYSA-NInChI: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)Synonyms: 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid | 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1...
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Tobramycin, Agonist of TAS2R20Formula: C18H37N5O9 Molecular Weight: 467.51IUPAC Name: show moreSMILES: C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)NInChIKey: NLVFBUXFDBBNBW-PBSUHMDJSA-NInChI: show moreSynonyms: TOBRADEX ST COMPONENT TOBRAMYCIN | TOBRAMYCIN (MART.) | TOBRAMYCIN [WHO-DD] | Tobramicina | Tobramycin,(S) | AT02 - T...
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Celecoxib, Cyclooxygenase-2 inhibitorCas Number: 169590-42-5 EC Number: 685-962-5Formula: C17H14F3N3O2S Molecular Weight: 381.37IUPAC Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamideSMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)FInChIKey: RZEKVGVHFLEQIL-UHFFFAOYSA-NInChI: InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)Synonyms: JCX84Q7J1L | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide | CELECOXIB (EP MONOGRAPH) | CE...
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Tobramycin, Agonist of TAS2R20Formula: C18H37N5O9 Molecular Weight: 467.51IUPAC Name: show moreSMILES: C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)NInChIKey: NLVFBUXFDBBNBW-PBSUHMDJSA-NInChI: show moreSynonyms: tobramycin|32986-56-4|Nebramycin factor 6|Nebramycin VI|Nebramycin 6|Tobi|Tobramicin|3'-Deoxykanamycin B|Aktob|Deoxyk...
