小分子和化合物库
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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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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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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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NU7026,可逆的DNA-PK抑制剂CAS号 : 154447-35-5 Compound CID : 9860529分子式: C17H15NO3 分子量: 281.31IUPAC Name: 2-morpholin-4-ylbenzo[h]chromen-4-oneSMILES: C1COCCN1C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3InChIKey: KKTZALUTXUZPSN-UHFFFAOYSA-NInChI: InChI=1S/C17H15NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2
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PI-103,PI3K 和 mTOR 抑制剂CAS号 : 371935-74-9 Compound CID : 9884685分子式: C19H16N4O3 分子量: 348.36IUPAC Name: 3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenolSMILES: C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)OInChIKey: TUVCWJQQGGETHL-UHFFFAOYSA-NInChI: InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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PP121,酪氨酸和磷酸肌醇激酶的双重抑制剂CAS号 : 1092788-83-4 Compound CID : 24905142分子式: C17H17N7 分子量: 319.36IUPAC Name: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amineSMILES: C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CN=C5C(=C4)C=CN5)NInChIKey: NVRXTLZYXZNATH-UHFFFAOYSA-NInChI: InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)
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