小分子和化合物库
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[2,2'-二吡啶]-3-胺CAS号: 105166-53-8分子式: C10H9N3 分子量: 171.2IUPAC Name: 2-pyridin-2-ylpyridin-3-amineSMILES: C1=CC=NC(=C1)C2=C(C=CC=N2)NInChIKey: JQTIUAVTCSZFNT-UHFFFAOYSA-NInChI: 1S/C10H9N3/c11-8-4-3-7-13-10(8)9-5-1-2-6-12-9/h1-7H,11H2
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4-溴-5-硝基苯-12-二胺CAS号: 113269-07-1分子式: C6H6BrN3O2 分子量: 232.04IUPAC Name: 4-bromo-5-nitrobenzene-1,2-diamineSMILES: C1=C(C(=CC(=C1[N+](=O)[O-])Br)N)NInChIKey: XGXKPRVKQPWQOY-UHFFFAOYSA-NInChI: 1S/C6H6BrN3O2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H,8-9H2
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生物素-马来酰亚胺CAS号: 116919-18-7分子式: C20H29N5O5S 分子量: 451.54IUPAC Name: N'-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazideSMILES: C1C2C(C(S1)CCCCC(=O)NNC(=O)CCCCCN3C(=O)C=CC3=O)NC(=O)N2InChIKey: VAPZWEFPQRDVHR-NJSLBKSFSA-NInChI: 1S/C20H29N5O5S/c26-15(7-2-1-5-11-25-17(28)9-10-18(25)29)23-24-16(27)8-4-3-6-14-19-13(12-31-14)21-20(30)22-19/h9-10,13-14,19H,1-8,11-12H2,(H,23,26)(H,24,27)(H2,21,22,30)/t13-,14-,19-/m0/s1
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2-(5-溴吡啶-2-基)-2,2-二氟乙烷-1-醇CAS号: 1236001-15-2分子式: C7H6BrF2NO 分子量: 238.03IUPAC Name: 2-(5-bromopyridin-2-yl)-2,2-difluoroethanolSMILES: C1=CC(=NC=C1Br)C(CO)(F)FInChIKey: GOFUGGMMYAMTII-UHFFFAOYSA-NInChI: 1S/C7H6BrF2NO/c8-5-1-2-6(11-3-5)7(9,10)4-12/h1-3,12H,4H2
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4-(3-溴丙基)吗啉CAS号: 125422-83-5分子式: C7H14BrNO 分子量: 208.09IUPAC Name: 4-(3-bromopropyl)morpholineSMILES: C1COCCN1CCCBrInChIKey: AFUWTOMPIDVMSJ-UHFFFAOYSA-NInChI: 1S/C7H14BrNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
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丁-1-烯-2-基苯CAS号: 2039-93-2分子式: C10H12 分子量: 132.21IUPAC Name: but-1-en-2-ylbenzeneSMILES: CCC(=C)C1=CC=CC=C1InChIKey: SQHOHKQMTHROSF-UHFFFAOYSA-NInChI: 1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
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53 5-溴-2-(26-二氧哌啶-3-基)异吲哚啉-13-二酮CAS号: 26166-92-7分子式: C13H9BrN2O4 分子量: 337.13IUPAC Name: 5-bromo-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)BrInChIKey: MWMSBQXTHIEBNT-UHFFFAOYSA-NInChI: 1S/C13H9BrN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4H2,(H,15,17,18)
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1-溴-4-异腈基苯CAS号: 33554-73-3分子式: C7H4BrN 分子量: 182.02IUPAC Name: 1-bromo-4-isocyanobenzeneSMILES: [C-]#[N+]C1=CC=C(C=C1)BrInChIKey: UVXCIFWBXFTMOD-UHFFFAOYSA-NInChI: 1S/C7H4BrN/c1-9-7-4-2-6(8)3-5-7/h2-5H
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1,3,5-苯三甲酰肼CAS号: 36997-31-6分子式: C9H12N6O3 分子量: 252.23IUPAC Name: benzene-1,3,5-tricarbohydrazideSMILES: C1=C(C=C(C=C1C(=O)NN)C(=O)NN)C(=O)NNInChIKey: MNBHRGAIQJFCIO-UHFFFAOYSA-NInChI: 1S/C9H12N6O3/c10-13-7(16)4-1-5(8(17)14-11)3-6(2-4)9(18)15-12/h1-3H,10-12H2,(H,13,16)(H,14,17)(H,15,18)
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1-溴乙基乙酸酯CAS号: 40258-78-4分子式: C4H7BrO2 分子量: 167IUPAC Name: 1-bromoethyl acetateSMILES: CC(OC(=O)C)BrInChIKey: IIASCQBFNHWZBE-UHFFFAOYSA-NInChI: 1S/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3
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2-(叔丁基)-5-羟基环己-25-二烯-14-二酮分子式: C10H12O3 分子量: 180.2IUPAC Name: 4-tert-butyl-5-hydroxycyclohexa-3,5-diene-1,2-dioneSMILES: CC(C)(C)C1=CC(=O)C(=O)C=C1OInChIKey: PUHREJGNFIKMHT-UHFFFAOYSA-NInChI: 1S/C10H12O3/c1-10(2,3)6-4-8(12)9(13)5-7(6)11/h4-5,11H,1-3H3
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10-(4-联苯基)-2-异丙基噻吨酮-10-硫鎓六氟磷酸盐CAS号: 591773-92-1 Compound CID : 11857386分子式: C28H23F6OPS 分子量: 552.511IUPAC Name: 10-(4-phenylphenyl)-2-propan-2-ylthioxanthen-10-ium-9-one;hexafluorophosphateSMILES: CC(C)C1=CC2=C(C=C1)[S+](C3=CC=CC=C3C2=O)C4=CC=C(C=C4)C5=CC=CC=C5.F[P-](F)(F)(F)(F)FInChIKey: UHKYZKDZFIFLBK-UHFFFAOYSA-NInChI: 1S/C28H23OS.F6P/c1-19(2)22-14-17-27-25(18-22)28(29)24-10-6-7-11-26(24)30(27)23-15-12-21(13-16-23)20-8-4-3-5-9-20;1-7(2,3,4,5)6/h3-19H,1-2H3;/q+1;-1
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