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TC-G 1004CAS号 : 1061747-72-5 Compound CID : 25074316分子式: C22H27N7O2 分子量: 421.5IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamideSMILES: CC1=CC(=NN1C2=NC(=CC(=N2)NC(=O)C)C3=NC(=CC=C3)N4CCC(CC4)OC)CInChIKey: JENSDTKXNVHSSN-UHFFFAOYSA-NInChI: InChI=1S/C22H27N7O2/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30)
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LUF 5834,腺苷A2A和A2B受体部分激动剂CAS号 : 333962-91-7 Compound CID : 135543624分子式: C17H12N6OS 分子量: 348.38IUPAC Name: 2-amino-4-(4-hydroxyphenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrileSMILES: C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=NC=CN3)N)C#N)OInChIKey: OFHKDLYFKPBXER-UHFFFAOYSA-NInChI: InChI=1S/C17H12N6OS/c18-7-12-15(10-1-3-11(24)4-2-10)13(8-19)17(23-16(12)20)25-9-14-21-5-6-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)
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7-氯-4-羟基-2-苯基-1,8-萘啶CAS号 : 286411-09-4 Compound CID : 6105572分子式: C14H9N2OCl 分子量: 256.69IUPAC Name: 7-chloro-2-phenyl-1H-1,8-naphthyridin-4-oneSMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)ClInChIKey: JSCUNIPKMPNPFX-UHFFFAOYSA-NInChI: InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
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CAY10680CAS号 : 1439488-21-7 Compound CID : 71680733分子式: C18H16N2O2S 分子量: 324.40IUPAC Name: N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamideSMILES: C1=CC=C(C=C1)CCCC(=O)NC2=NC3=CC=CC=C3C(=O)S2InChIKey: QMBOZLGNPMVERZ-UHFFFAOYSA-NInChI: InChI=1S/C18H16N2O2S/c21-16(12-6-9-13-7-2-1-3-8-13)20-18-19-15-11-5-4-10-14(15)17(22)23-18/h1-5,7-8,10-11H,6,9,12H2,(H,19,20,21)
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5'-氨基-5'- 脱氧腺苷CAS号 : 14365-44-7 Compound CID : 9816781分子式: C10H14N6O3 分子量: 266.26IUPAC Name: (2R,3S,4R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diolSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CN)O)O)NInChIKey: GVSGUDGNTHCZHI-KQYNXXCUSA-NInChI: InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
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伊曲茶碱CAS号 : 155270-99-8(DMSO)分子式: C20H24N4O4 分子量: 384.43SMILES: CCN1C(=O)N(CC)C2=C([N](C)C(=N2)\C=C\C3=CC=C(OC)C(=C3)OC)C1=O
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A2AR拮抗剂1CAS号 : 443103-97-7 Compound CID : 9879687分子式: C16H12FN5O 分子量: 309.3IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amineSMILES: C1=CC=C(C(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)FInChIKey: JEEJMSUHUZNTCD-UHFFFAOYSA-NInChI: InChI=1S/C16H12FN5O/c17-12-5-2-1-4-10(12)9-22-15-11(8-19-22)14(20-16(18)21-15)13-6-3-7-23-13/h1-8H,9H2,(H2,18,20,21)
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A2AR拮抗剂1CAS号 : 443103-97-7 Compound CID : 9879687分子式: C16H12FN5O 分子量: 309.3IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amineSMILES: C1=CC=C(C(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)FInChIKey: JEEJMSUHUZNTCD-UHFFFAOYSA-NInChI: InChI=1S/C16H12FN5O/c17-12-5-2-1-4-10(12)9-22-15-11(8-19-22)14(20-16(18)21-15)13-6-3-7-23-13/h1-8H,9H2,(H2,18,20,21)
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Ciforadenant (CPI-444)CAS号 : 1202402-40-1 Compound CID : 44537963分子式: C20H21N7O3 分子量: 407.43IUPAC Name: 7-(5-methylfuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]pyridin-2-yl]methyl]triazolo[4,5-d]pyrimidin-5-amineSMILES: CC1=CC=C(O1)C2=C3C(=NC(=N2)N)N(N=N3)CC4=NC(=CC=C4)COC5CCOC5InChIKey: KURQKNMKCGYWRJ-HNNXBMFYSA-NInChI: InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1
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5'-乙基羧酰胺基腺苷CAS号 : 35920-39-9 Compound CID : 448222分子式: C12H16N6O4 分子量: 308.3IUPAC Name: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamideSMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OInChIKey: JADDQZYHOWSFJD-FLNNQWSLSA-NInChI: InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
