小分子和化合物库
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SP-96CAS号 : 2682114-54-9 Compound CID : 154573766分子式: C25H20FN7O 分子量: 453.47IUPAC Name: 1-(3-fluorophenyl)-3-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]ureaSMILES: CN1C=C(C=N1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC(=CC=C4)NC(=O)NC5=CC(=CC=C5)FInChIKey: CGDYRZUPKPBLND-UHFFFAOYSA-NInChI: InChI=1S/C25H20FN7O/c1-33-14-17(13-29-33)16-8-9-22-23(10-16)27-15-28-24(22)30-20-6-3-7-21(12-20)32-25(34)31-19-5-2-4-18(26)11-19/h2-15H,1H3,(H,27,28,30)(H2,31,32,34)
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R406(游离碱)CAS号 : 841290-80-0 Compound CID : 11213558分子式: C22H23FN6O5 分子量: 470.45IUPAC Name: 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-oneSMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)CInChIKey: NHHQJBCNYHBUSI-UHFFFAOYSA-NInChI: InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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TAE226(NVP-TAE226),双重 FAK 和 IGF-1R 抑制剂CAS号 : 761437-28-9 Compound CID : 9934347分子式: C23H25ClN6O3 分子量: 468.94IUPAC Name: 2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamideSMILES: CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCOCC4)OCInChIKey: UYJNQQDJUOUFQJ-UHFFFAOYSA-NInChI: InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)
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ENMD-2076CAS号 : 934353-76-1 Compound CID : 16041424分子式: C21H25N7 分子量: 375.47IUPAC Name: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amineSMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)C=CC3=CC=CC=C3)N4CCN(CC4)CInChIKey: BLQYVHBZHAISJM-CMDGGOBGSA-NInChI: InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8+
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GDP366CAS号 : 501698-03-9 Compound CID : 6539985分子式: C20H17N5OS 分子量: 375.4IUPAC Name: 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)ureaSMILES: CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=CSC4=NC=NC(=C34)NInChIKey: DZSUJUOJJJCWGG-UHFFFAOYSA-NInChI: InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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