小分子和化合物库
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41 反式-2-(25-二氟苯基)环丙烷-1-胺盐酸盐CAS号: 1643378-54-4 Compound CID : 91654500分子式: C9H10ClF2N 分子量: 205.63IUPAC Name: (1R,2S)-2-(2,5-difluorophenyl)cyclopropan-1-amine;hydrochlorideSMILES: C1C(C1N)C2=C(C=CC(=C2)F)F.ClInChIKey: SBISJXJUOBFQHU-DKXTVVGFSA-NInChI: 1S/C9H9F2N.ClH/c10-5-1-2-8(11)6(3-5)7-4-9(7)12;/h1-3,7,9H,4,12H2;1H/t7-,9+;/m0./s1
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70 反式-2-(2-(三氟甲氧基)苯基)环丙烷-1-羧酸CAS号: 1683526-60-4 Compound CID : 93299372分子式: C11H9F3O3 分子量: 246.19IUPAC Name: (1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acidSMILES: C1C(C1C(=O)O)C2=CC=CC=C2OC(F)(F)FInChIKey: URRRSJNYUQVDCI-JGVFFNPUSA-NInChI: 1S/C11H9F3O3/c12-11(13,14)17-9-4-2-1-3-6(9)7-5-8(7)10(15)16/h1-4,7-8H,5H2,(H,15,16)/t7-,8+/m0/s1
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00 反式-2-(4-(二氟甲氧基)苯基)环丙烷-1-羧酸CAS号: 1820569-50-3 Compound CID : 51888124分子式: C11H10F2O3 分子量: 228.19IUPAC Name: (1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acidSMILES: C1C(C1C(=O)O)C2=CC=C(C=C2)OC(F)FInChIKey: XRVPPNOXFATEAL-DTWKUNHWSA-NInChI: 1S/C11H10F2O3/c12-11(13)16-7-3-1-6(2-4-7)8-5-9(8)10(14)15/h1-4,8-9,11H,5H2,(H,14,15)/t8-,9+/m0/s1
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78 反式-2-(邻甲苯基)环丙烷-1-羧酸CAS号: 1821802-95-2 Compound CID : 39057974分子式: C11H12O2 分子量: 176.22IUPAC Name: (1R,2R)-2-(2-methylphenyl)cyclopropane-1-carboxylic acidSMILES: CC1=CC=CC=C1C2CC2C(=O)OInChIKey: JLTWVSDENGCCEJ-VHSXEESVSA-NInChI: 1S/C11H12O2/c1-7-4-2-3-5-8(7)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13)/t9-,10+/m0/s1
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Veledimex激活剂配体CAS号: 1093130-72-3 Compound CID : 57751161分子式: C27H38N2O3 分子量: 438.6IUPAC Name: N'-(3,5-dimethylbenzoyl)-N'-[(3R)-2,2-dimethylhexan-3-yl]-2-ethyl-3-methoxybenzohydrazideSMILES: CCCC(C(C)(C)C)N(C(=O)C1=CC(=CC(=C1)C)C)NC(=O)C2=C(C(=CC=C2)OC)CCInChIKey: LZWZPGLVHLSWQX-XMMPIXPASA-NInChI: 1S/C27H38N2O3/c1-9-12-24(27(5,6)7)29(26(31)20-16-18(3)15-19(4)17-20)28-25(30)22-13-11-14-23(32-8)21(22)10-2/h11,13-17,24H,9-10,12H2,1-8H3,(H,28,30)/t24-/m1/s1
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阿普洛尔 盐酸盐CAS号: 13707-88-5 EC号: 237-244-4分子式: C15H23NO2 · HCl 分子量: 285.81IUPAC Name: 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochlorideSMILES: CC(C)NCC(COC1=CC=CC=C1CC=C)O.ClInChIKey: RRCPAXJDDNWJBI-UHFFFAOYSA-NInChI: 1S/C15H23NO2.ClH/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1H
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硝普酸钠CAS号: 14402-89-2 Compound CID : 11963579分子式: C5FeN6Na2O 分子量: 261.92IUPAC Name: disodium;iron(4+);nitroxyl anion;pentacyanideSMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[Na+].[Na+].[Fe+4]InChIKey: PECOKVKJVPMJBN-UHFFFAOYSA-NInChI: 1S/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q5*-1;+4;-1;2*+1
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盐酸BU 224CAS号: 205437-64-5分子式: C12H11N3.HCl 分子量: 233.7IUPAC Name: 2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochlorideSMILES: C1CN=C(N1)C2=NC3=CC=CC=C3C=C2.ClInChIKey: DDFHQXAQWZWRSQ-UHFFFAOYSA-NInChI: 1S/C12H11N3.ClH/c1-2-4-10-9(3-1)5-6-11(15-10)12-13-7-8-14-12;/h1-6H,7-8H2,(H,13,14);1H
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(-)-双甲硫脲CAS号: 55950-07-7 Compound CID : 185826分子式: C21H20INO6 分子量: 509.29IUPAC Name: (6S)-6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;iodideSMILES: C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-]InChIKey: HKJKCPKPSSVUHY-VOMIJIAVSA-MInChI: 1S/C21H20NO6.HI/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19;/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3;1H/q+1;/p-1/t18-,19+;/m1./s1
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A-196,SUV420H1和SUV420H2抑制剂CAS号: 1384071-99-1分子式: C22H19F4N7O 分子量: 473.44IUPAC Name: 1-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]ureaSMILES: CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F)NInChIKey: CYORWDWRQMVGHN-UHFFFAOYSA-NInChI: 1S/C22H19F4N7O/c1-11(2)33-20-17(19(27)28-10-29-20)18(32-33)12-3-6-14(7-4-12)30-21(34)31-16-9-13(22(24,25)26)5-8-15(16)23/h3-11H,1-2H3,(H2,27,28,29)(H2,30,31,34)
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CAY 10566,SCD1抑制剂CAS号: 944808-88-2分子式: C18H17ClFN5O2 分子量: 389.81IUPAC Name: 2-[6-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-5-methyl-1,3,4-oxadiazoleSMILES: CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)ClInChIKey: WFOFPVXMPTVOTJ-UHFFFAOYSA-NInChI: 1S/C18H17ClFN5O2/c1-11-21-24-18(26-11)15-4-5-17(23-22-15)25-8-6-13(7-9-25)27-16-10-12(20)2-3-14(16)19/h2-5,10,13H,6-9H2,1H3
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