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  1. PH-797804,ATP竞争性p38α抑制剂
    CAS号: 586379-66-0
    分子式: C22H19BrF2N2O3        分子量: 477.3
    IUPAC Name: 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N,4-dimethylbenzamide
    SMILES: CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C
    InChIKey: KCAJXIDMCNPGHZ-UHFFFAOYSA-N
    InChI: 1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
  2. 左旋甲状腺素 (T4)
    CAS号: 51-48-9        EC号: 200-101-1        Compound CID : 5819
    分子式: C15H11I4NO4        分子量: 776.87
    IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
    SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N
    InChIKey: XUIIKFGFIJCVMT-LBPRGKRZSA-N
    InChI: 1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
  3. SB-203580,p38 MAPK抑制剂
    CAS号: 152121-47-6        Compound CID : 176155
    分子式: C21H16FN3OS        分子量: 377.43
    IUPAC Name: 4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
    SMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F
    InChIKey: CDMGBJANTYXAIV-UHFFFAOYSA-N
    InChI: 1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
  4. TAK-715
    CAS号: 303162-79-0        Compound CID : 9952773
    分子式: C24H21N3OS        分子量: 399.51
    IUPAC Name: N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]benzamide
    SMILES: CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C
    InChIKey: HEKAIDKUDLCBRU-UHFFFAOYSA-N
    InChI: 1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
  5. VX-745,p38 alpha MAPK抑制剂
    CAS号: 209410-46-8        Compound CID : 3038525
    分子式: C19H9Cl2F2N3OS        分子量: 436.27
    IUPAC Name: 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one
    SMILES: C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=NN3C=NC2=O)SC4=C(C=C(C=C4)F)F)Cl
    InChIKey: VEPKQEUBKLEPRA-UHFFFAOYSA-N
    InChI: 1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
  6. 达马莫德
    CAS号: 285983-48-4
    分子式: C31H37N5O3        分子量: 527.67
    IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
    SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5
    InChIKey: MVCOAUNKQVWQHZ-UHFFFAOYSA-N
    InChI: 1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
  7. 3,3',5-三碘-L-甲腺原氨酸
    CAS号: 6893-02-3        Compound CID : 5920
    分子式: C15H12I3NO4        分子量: 650.98
    IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
    SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O
    InChIKey: AUYYCJSJGJYCDS-LBPRGKRZSA-N
    InChI: 1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
  8. D-甲状腺素
    CAS号: 51-49-0        Compound CID : 8730
    分子式: C15H11I4NO4        分子量: 776.87
    IUPAC Name: (2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
    SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N
    InChIKey: XUIIKFGFIJCVMT-GFCCVEGCSA-N
    InChI: 1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1
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