小分子和化合物库
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2'-脱氧腺苷(无水)CAS号: 958-09-8分子式: C10H13N5O3 分子量: 251.25IUPAC Name: (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-olSMILES: C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)OInChIKey: OLXZPDWKRNYJJZ-RRKCRQDMSA-NInChI: 1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
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脱羧氯雷他定CAS号: 100643-71-8分子式: C19H19ClN2 分子量: 310.83IUPAC Name: 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaeneSMILES: C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4InChIKey: JAUOIFJMECXRGI-UHFFFAOYSA-NInChI: 1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
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3',5'-二羟基苯乙酮CAS号: 51863-60-6分子式: C8H8O3 分子量: 152.15IUPAC Name: 1-(3,5-dihydroxyphenyl)ethanoneSMILES: CC(=O)C1=CC(=CC(=C1)O)OInChIKey: WQXWIKCZNIGMAP-UHFFFAOYSA-NInChI: 1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3
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2-乙基-6-甲基苯酚CAS号: 1687-64-5分子式: C9H12O 分子量: 136.19IUPAC Name: 2-ethyl-6-methylphenolSMILES: CCC1=CC=CC(=C1O)CInChIKey: CIRRFAQIWQFQSS-UHFFFAOYSA-NInChI: 1S/C9H12O/c1-3-8-6-4-5-7(2)9(8)10/h4-6,10H,3H2,1-2H3
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3-(2-乙基己氧基)-1,2-丙二醇CAS号: 70445-33-9分子式: C11H24O3 分子量: 204.31IUPAC Name: 3-(2-ethylhexoxy)propane-1,2-diolSMILES: CCCCC(CC)COCC(CO)OInChIKey: NCZPCONIKBICGS-UHFFFAOYSA-NInChI: 1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3
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4-乙氧基香豆素CAS号: 35817-27-7分子式: C11H10O3 分子量: 190.2IUPAC Name: 4-ethoxychromen-2-oneSMILES: CCOC1=CC(=O)OC2=CC=CC=C21InChIKey: FLZDKBHAUILYAZ-UHFFFAOYSA-NInChI: 1S/C11H10O3/c1-2-13-10-7-11(12)14-9-6-4-3-5-8(9)10/h3-7H,2H2,1H3
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氟他胺CAS号: 13311-84-7分子式: C11H11F3N2O3 分子量: 276.22IUPAC Name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamideSMILES: CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)FInChIKey: MKXKFYHWDHIYRV-UHFFFAOYSA-NInChI: 1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
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4'-羟基-3'-甲氧基苯乙酮CAS号: 498-02-2分子式: C9H10O3 分子量: 166.18IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanoneSMILES: CC(=O)C1=CC(=C(C=C1)O)OCInChIKey: DFYRUELUNQRZTB-UHFFFAOYSA-NInChI: 1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
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