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10Z-Hymenialdisine,泛激酶抑制剂CAS号 : 82005-12-7分子式: C11H10BrN5O2 分子量: 324.13IUPAC Name: (4Z)-4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-oneSMILES: C1CNC(=O)C2=C(C1=C3C(=O)NC(=N3)N)C=C(N2)BrInChIKey: ATBAETXFFCOZOY-DAXSKMNVSA-NInChI: InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
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CI 1020,ETA拮抗剂CAS号 : 162256-50-0 Compound CID : 9870830分子式: C28H26O9 分子量: 506.5IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-oneSMILES: COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OC)OC)OC)OInChIKey: PWIPORDFWDZCJG-UHFFFAOYSA-NInChI: InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3
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A 127722,ETA拮抗剂CAS号 : 195704-72-4 Compound CID : 159594分子式: C29H38N2O6 分子量: 510.62IUPAC Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acidSMILES: CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4InChIKey: MOTJMGVDPWRKOC-QPVYNBJUSA-NInChI: InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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CHIR-99021 (CT99021)CAS号 : 252917-06-9(DMSO)分子式: C22H18Cl2N8 分子量: 465.34SMILES: CC1=C[NH]C(=N1)C2=CN=C(NCCNC3=CC=C(C=N3)C#N)N=C2C4=CC=C(Cl)C=C4Cl
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Macitentan (ACT 064992)CAS号 : 441798-33-0(DMSO)分子式: C19H20Br2N6O4S 分子量: 588.27SMILES: CCCN[S](=O)(=O)NC1=NC=NC(=C1C2=CC=C(Br)C=C2)OCCOC3=NC=C(Br)C=N3
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Mirdametinib (PD0325901)CAS号 : 391210-10-9(DMSO)分子式: C16H14F3IN2O4 分子量: 482.19SMILES: OCC(O)CONC(=O)C1=C(NC2=CC=C(I)C=C2F)C(=C(F)C=C1)F
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Ulixertinib (BVD-523)CAS号 : 869886-67-9(DMSO)分子式: C21H22Cl2N4O2 分子量: 433.33SMILES: CC(C)NC1=NC=C(Cl)C(=C1)C2=C[NH]C(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl
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Zibotentan (ZD4054)CAS号 : 186497-07-4(DMSO)分子式: C19H16N6O4S 分子量: 424.43SMILES: COC1=NC(=CN=C1N[S](=O)(=O)C2=CC=CN=C2C3=CC=C(C=C3)C4=NN=CO4)C
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安贝生坦CAS号 : 177036-94-1(DMSO)分子式: C22H22N2O4 分子量: 378.42SMILES: COC(C(OC1=NC(=CC(=N1)C)C)C(O)=O)(C2=CC=CC=C2)C3=CC=CC=C3
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BQ-123CAS号 : 136553-81-6 Compound CID : 443289分子式: C31H42N6O7 分子量: 610.7IUPAC Name: 2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acidSMILES: CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43InChIKey: VYCMAAOURFJIHD-PJNXIOHISA-NInChI: InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1
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FR 180204CAS号 : 865362-74-9 Compound CID : 11493598分子式: C18H13N7 分子量: 327.34IUPAC Name: 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amineSMILES: C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)NInChIKey: XVECMUKVOMUNLE-UHFFFAOYSA-NInChI: InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
