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绿原酸分子式: C16H18O9 分子量: 354.31IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acidSMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=OInChIKey: CWVRJTMFETXNAD-JUHZACGLSA-NInChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
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CGP60474,CDK抑制剂CAS号 : 164658-13-3 Compound CID : 644215分子式: C18H18ClN5O 分子量: 355.82IUPAC Name: 3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-olSMILES: C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCOInChIKey: IYNDTACKOAXKBJ-UHFFFAOYSA-NInChI: InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)
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SU 9516,cyclin依赖性激酶（cdk）抑制剂CAS号 : 377090-84-1 Compound CID : 5289419分子式: C13H11N3O2 分子量: 241.25IUPAC Name: (3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-oneSMILES: COC1=CC2=C(C=C1)NC(=O)C2=CC3=CN=CN3InChIKey: QNUKRWAIZMBVCU-WCIBSUBMSA-NInChI: InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
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PonalrestatCAS号 : 72702-95-5 Compound CID : 5278分子式: C17H12BrFN2O3 分子量: 391.2IUPAC Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acidSMILES: C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)OInChIKey: LKBFFDOJUKLQNY-UHFFFAOYSA-NInChI: InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)
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(2'Z,3'E)-6-溴靛玉红-3'-肟CAS号 : 667463-62-9(DMSO)分子式: C16H10BrN3O2 分子量: 356.17SMILES: O\N=C/1\C(NC2=CC=CC=C12)=C3\C(=O)NC4=C3C=CC(=C4)Br
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AT7519CAS号 : 844442-38-2(DMSO)分子式: C16H17Cl2N5O2 分子量: 382.24SMILES: ClC1=CC=CC(=C1C(=O)NC2=C[NH]N=C2C(=O)NC3CCNCC3)Cl
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AZD5438CAS号 : 602306-29-6(DMSO)分子式: C18H21N5O2S 分子量: 371.46SMILES: CC(C)[N]1C(=NC=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)[S](C)(=O)=O)C
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BMS-265246CAS号 : 582315-72-8(DMSO)分子式: C18H17F2N3O2 分子量: 345.34SMILES: CCCCOC1=C2C=N[NH]C2=NC=C1C(=O)C3=C(F)C=C(C)C=C3F
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CHIR-99021 (CT99021)CAS号 : 252917-06-9(DMSO)分子式: C22H18Cl2N8 分子量: 465.34SMILES: CC1=C[NH]C(=N1)C2=CN=C(NCCNC3=CC=C(C=N3)C#N)N=C2C4=CC=C(Cl)C=C4Cl
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Dinaciclib (SCH727965)CAS号 : 779353-01-4(DMSO)分子式: C21H28N6O2 分子量: 396.49SMILES: CCC1=C2N=C(C=C(NCC3=CC=C[N+](=C3)[O-])[N]2N=C1)N4CCCCC4CCO
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JNJ-7706621CAS号 : 443797-96-4(DMSO)分子式: C15H12F2N6O3S 分子量: 394.36SMILES: NC1=NC(=N[N]1C(=O)C2=C(F)C=CC=C2F)NC3=CC=C(C=C3)[S](N)(=O)=O
