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磺草酮CAS号: 99105-77-8 Compound CID : 91760分子式: C14H13ClO5S 分子量: 328.77IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dioneSMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)ClInChIKey: PQTBTIFWAXVEPB-UHFFFAOYSA-NInChI: 1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
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烯效唑CAS号: 83657-22-1分子式: C15H18ClN3O 分子量: 291.78IUPAC Name: (E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-olSMILES: CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)OInChIKey: YNWVFADWVLCOPU-MDWZMJQESA-NInChI: 1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+
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厄达替尼（JNJ-42756493）CAS号: 1346242-81-6 EC号: 807-395-6分子式: C25H30N6O2 分子量: 446.54IUPAC Name: N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamineSMILES: CC(C)NCCN(C1=CC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OCInChIKey: OLAHOMJCDNXHFI-UHFFFAOYSA-NInChI: 1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
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D-葡萄糖-6-¹³CCAS号: 106032-62-6分子式: 13CC5H12O6 分子量: 181.15IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(613C)hexanalSMILES: O[13CH2][C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=OInChIKey: GZCGUPFRVQAUEE-HYISWWFJSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i2+1
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L-甲硫氨酸-¹³C₅,¹⁵NCAS号: 202468-47-1分子式: 13CH3S13CH213CH213CH(15NH2)13CO2H 分子量: 155.17SMILES: [13CH3]S[13CH2][13CH2][13C@H]([15NH2])[13C](O)=OInChIKey: FFEARJCKVFRZRR-XAFSXMPTSA-NInChI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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多巴胺盐酸盐-d4CAS号: 203633-19-6分子式: C8H7D4NO2·HCl 分子量: 193.66IUPAC Name: 4-(2-amino-1,1,2,2-tetradeuterioethyl)benzene-1,2-diol;hydrochlorideSMILES: C1=CC(=C(C=C1CCN)O)O.ClInChIKey: CTENFNNZBMHDDG-URZLSVTISA-NInChI: 1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H/i3D2,4D2;
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苯妥英-d10CAS号: 65854-97-9分子式: C15H2D10N2O2 分子量: 262.33IUPAC Name: 5,5-bis(2,3,4,5,6-pentadeuteriophenyl)imidazolidine-2,4-dioneSMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3InChIKey: CXOFVDLJLONNDW-LHNTUAQVSA-NInChI: 1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
