小分子和化合物库
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克罗散泰CAS号 : 57808-65-8 Compound CID : 42574分子式: C22H14Cl2I2N2O2 分子量: 663.07IUPAC Name: N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodobenzamideSMILES: CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)I)I)O)Cl)C(C#N)C3=CC=C(C=C3)ClInChIKey: JMPFSEBWVLAJKM-UHFFFAOYSA-NInChI: InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)
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CAY10498,A 3腺苷受体拮抗剂CAS号 : 863202-33-9 Compound CID : 53394567分子式: C18H20N6 分子量: 320.4IUPAC Name: 6-N-(2-bicyclo[2.2.1]heptanyl)-2-N-phenyl-7H-purine-2,6-diamineSMILES: C1CC2CC1CC2NC3=NC(=NC4=C3NC=N4)NC5=CC=CC=C5InChIKey: SLLSODGWHDUMRG-UHFFFAOYSA-NInChI: InChI=1S/C18H20N6/c1-2-4-13(5-3-1)21-18-23-16-15(19-10-20-16)17(24-18)22-14-9-11-6-7-12(14)8-11/h1-5,10-12,14H,6-9H2,(H3,19,20,21,22,23,24)
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N6-(2-苯乙基)腺苷CAS号 : 20125-39-7 Compound CID : 9929340分子式: C18H21N5O4 分子量: 371.39IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(2-phenylethylamino)purin-9-yl]oxolane-3,4-diolSMILES: C1=CC=C(C=C1)CCNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)OInChIKey: LGZYEDZSPHLISU-SCFUHWHPSA-NInChI: InChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
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羟布宗分子式: C19H20N2O3 分子量: 324.37IUPAC Name: 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dioneSMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3InChIKey: HFHZKZSRXITVMK-UHFFFAOYSA-NInChI: InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
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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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吲哚美辛CAS号 : 53-86-1(DMSO)分子式: C19H16ClNO4 分子量: 357.79SMILES: COC1=CC=C2[N](C(=C(CC(O)=O)C2=C1)C)C(=O)C3=CC=C(Cl)C=C3
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