小分子和化合物库
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(S)-AMPACAS号 : 83643-88-3分子式: C7H10N2O4 分子量: 186.17IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acidSMILES: CC1=C(C(=O)NO1)CC(C(=O)O)NInChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-NInChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
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NU7441 (KU-57788)CAS号 : 503468-95-9(DMSO)分子式: C25H19NO3S 分子量: 413.49SMILES: O=C1C=C(OC2=C1C=CC=C2C3=CC=CC4=C3SC5=C4C=CC=C5)N6CCOCC6
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PI-103CAS号 : 371935-74-9(DMSO)分子式: C19H16N4O3 分子量: 348.36SMILES: OC1=CC(=CC=C1)C2=NC3=C(OC4=C3C=CC=N4)C(=N2)N5CCOCC5
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PP121CAS号 : 1092788-83-4(DMSO)分子式: C17H17N7 分子量: 319.36SMILES: NC1=NC=NC2=C1C(=N[N]2C3CCCC3)C4=CN=C5[NH]C=CC5=C4
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Torin 2CAS号 : 1223001-51-1(DMSO)分子式: C24H15F3N4O 分子量: 432.4SMILES: NC1=CC=C(C=N1)C2=CC=C3N=CC4=C(N(C(=O)C=C4)C5=CC=CC(=C5)C(F)(F)F)C3=C2
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VE-821CAS号 : 1232410-49-9(DMSO)分子式: C18H16N4O3S 分子量: 368.41SMILES: C[S](=O)(=O)C1=CC=C(C=C1)C2=CN=C(N)C(=N2)C(=O)NC3=CC=CC=C3
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CC-115CAS号 : 1228013-15-7 Compound CID : 58298318分子式: C16H16N8O 分子量: 336.35IUPAC Name: 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)pyridin-3-yl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-oneSMILES: CCN1C(=O)CNC2=NC=C(N=C21)C3=C(N=C(C=C3)C4=NC=NN4)CInChIKey: GMYLVKUGJMYTFB-UHFFFAOYSA-NInChI: InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
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AmpalexCAS号 : 154235-83-3 Compound CID : 148184分子式: C14H15N3O 分子量: 241.29IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanoneSMILES: C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-NInChI: InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
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AZD7648CAS号 : 2230820-11-6 Compound CID : 135151360分子式: C18H20N8O2 分子量: 380.4IUPAC Name: 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-oneSMILES: CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCOCC5InChIKey: XISVSTPEXYIKJL-UHFFFAOYSA-NInChI: InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)
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