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Biochemicals

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  1. Zafirlukast, Cysteinyl leukotriene receptor 1 antagonist
    Cas Number: 107753-78-6        Compound CID:  5717
    Formula:  C31H33N3O6S        Molecular Weight: 575.68
    IUPAC Name:  cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
    SMILES:  CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC
    InChIKey: YEEZWCHGZNKEEK-UHFFFAOYSA-N
    InChI:  InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25show more
    Synonyms: SR-01000759386-9 | ZAFIRLUKAST [MI] | AB00639922_09 | cyclopentyl N-[3-[[2-methoxy-4-(o-tolylsulfonylcarbamoyl)phenyl...
  2. Regorafenib (BAY 73-4506), Nerve growth factor receptor Trk-A
    Cas Number: 755037-03-7        Compound CID:  11167602
    Formula:  C21H15ClF4N4O3        Molecular Weight: 482.82
    IUPAC Name:  4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
    SMILES:  CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F
    InChIKey: FNHKPVJBJVTLMP-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29show more
    Synonyms: CCG-269571 | AB00076187-01 | CHEBI:68647 | 755037-03-7 , Regorafenib | AC-25075 | MFCD16038047 | Regorafenib,BAY 73-4...
  3. 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 transporter
    Cas Number: 53-86-1        EC Number: 200-186-5
    Formula:  C19H16ClNO4        Molecular Weight: 357.79
    IUPAC Name:  2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
    SMILES:  CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
    InChIKey: CGIGDMFJXJATDK-UHFFFAOYSA-N
    InChI:  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...
  4. Celecoxib, Cyclooxygenase-2 inhibitor
    Cas Number: 169590-42-5        EC Number: 685-962-5
    Formula:  C17H14F3N3O2S        Molecular Weight: 381.37
    IUPAC Name:  4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
    SMILES:  CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
    InChIKey: RZEKVGVHFLEQIL-UHFFFAOYSA-N
    InChI:  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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