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GSK2606414,PERK抑制剂CAS号 : 1337531-36-8 Compound CID : 53469448分子式: C24H20F3N5O 分子量: 451.44IUPAC Name: 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanoneSMILES: CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)FInChIKey: SIXVRXARNAVBTC-UHFFFAOYSA-NInChI: InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30)
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UCB 35625,CCR1和CCR3拮抗剂CAS号 : 202796-42-7 Compound CID : 6918496分子式: C30H37Cl2IN2O2 分子量: 655.44IUPAC Name: 2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodideSMILES: CC[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)CC5=CCCCCCC5.[I-]InChIKey: FOAFBMYSXIGAOX-LQGGPMKRSA-NInChI: InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
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J 113863,CCR1趋化因子受体拮抗剂CAS号 : 202796-41-6 Compound CID : 6918496分子式: C30H37Cl2IN2O2 分子量: 655.44IUPAC Name: 2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodideSMILES: CC[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)CC5=CCCCCCC5.[I-]InChIKey: FOAFBMYSXIGAOX-LQGGPMKRSA-NInChI: InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
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J 113863CAS号 : 353791-85-2 Compound CID : 6918496分子式: C30H37Cl2IN2O2 分子量: 655.44IUPAC Name: 2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodideSMILES: CC[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)CC5=CCCCCCC5.[I-]InChIKey: FOAFBMYSXIGAOX-LQGGPMKRSA-NInChI: InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
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7-Cl-O-Nec1CAS号 : 852391-15-2(DMSO)分子式: C13H12ClN3O2 分子量: 277.71SMILES: CN1C(=O)NC(CC2=C[NH]C3=C(Cl)C=CC=C23)C1=O
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Necrostatin-1CAS号 : 4311-88-0(DMSO)分子式: C13H13N3OS 分子量: 259.33SMILES: CN1C(=O)C(CC2=C[NH]C3=CC=CC=C23)NC1=S
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Ponatinib (AP24534)CAS号 : 943319-70-8(DMSO)分子式: C29H27F3N6O 分子量: 532.56SMILES: CN1CCN(CC1)CC2=C(C=C(NC(=O)C3=CC(=C(C)C=C3)C#CC4=CN=C5C=CC=N[N]45)C=C2)C(F)(F)F
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Tozasertib (VX-680, MK-0457)CAS号 : 639089-54-6(DMSO)分子式: C23H28N8OS 分子量: 464.59SMILES: CN1CCN(CC1)C2=NC(=NC(=C2)NC3=N[NH]C(=C3)C)SC4=CC=C(NC(=O)C5CC5)C=C4
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GSK481CAS号 : 1622849-58-4 Compound CID : 90351311分子式: C21H19N3O4 分子量: 377.39IUPAC Name: 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamideSMILES: CN1C2=CC=CC=C2OCC(C1=O)NC(=O)C3=NOC(=C3)CC4=CC=CC=C4InChIKey: KNOUWGGQMADIBV-KRWDZBQOSA-NInChI: InChI=1S/C21H19N3O4/c1-24-18-9-5-6-10-19(18)27-13-17(21(24)26)22-20(25)16-12-15(28-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/m0/s1
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GSK2606414CAS号 : 1337531-36-8 Compound CID : 53469448分子式: C24H20F3N5O 分子量: 451.44IUPAC Name: 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanoneSMILES: CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)FInChIKey: SIXVRXARNAVBTC-UHFFFAOYSA-NInChI: InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30)
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GSK481CAS号 : 1622849-58-4 Compound CID : 90351311分子式: C21H19N3O4 分子量: 377.39IUPAC Name: 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamideSMILES: CN1C2=CC=CC=C2OCC(C1=O)NC(=O)C3=NOC(=C3)CC4=CC=CC=C4InChIKey: KNOUWGGQMADIBV-KRWDZBQOSA-NInChI: InChI=1S/C21H19N3O4/c1-24-18-9-5-6-10-19(18)27-13-17(21(24)26)22-20(25)16-12-15(28-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/m0/s1
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GSK3145095CAS号 : 1622849-43-7 Compound CID : 118557502分子式: C20H17F2N5O2 分子量: 397.38IUPAC Name: 5-benzyl-N-[(3S)-7,9-difluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamideSMILES: C1CC2=C(C(=CC(=C2)F)F)NC(=O)C1NC(=O)C3=NNC(=N3)CC4=CC=CC=C4InChIKey: ATQAGKAMBISZQM-HNNXBMFYSA-NInChI: InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1
