小分子和化合物库
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GSK2578215A,LRRK2抑制剂CAS号: 1285515-21-0分子式: C24H18FN3O2 分子量: 399.42IUPAC Name: 5-(2-fluoropyridin-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamideSMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4InChIKey: WCIGMFCFPXZRMQ-UHFFFAOYSA-NInChI: 1S/C24H18FN3O2/c25-23-14-19(10-12-27-23)18-8-9-22(30-16-17-5-2-1-3-6-17)21(13-18)24(29)28-20-7-4-11-26-15-20/h1-15H,16H2,(H,28,29)
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高车前素CAS号: 1447-88-7分子式: C16H12O6 分子量: 300.26IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-oneSMILES: COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)OInChIKey: IHFBPDAQLQOCBX-UHFFFAOYSA-NInChI: 1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
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LY-294,002盐酸盐CAS号: 934389-88-5分子式: C19H18ClNO3 分子量: 343.8IUPAC Name: 2-morpholin-4-yl-8-phenylchromen-4-one;hydrochlorideSMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4.ClInChIKey: OQZQSRICUOWBLW-UHFFFAOYSA-NInChI: 1S/C19H17NO3.ClH/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14;/h1-8,13H,9-12H2;1H
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氢溴化他汀CAS号: 298197-04-3分子式: C18H18N2S·HBr 分子量: 375.33IUPAC Name: 4-(4-methylphenyl)-2-(2-propylpyridin-4-yl)-1,3-thiazole;hydrobromideSMILES: CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)C.BrInChIKey: RJCFNQZVFUMORB-UHFFFAOYSA-NInChI: 1S/C18H18N2S.BrH/c1-3-4-16-11-15(9-10-19-16)18-20-17(12-21-18)14-7-5-13(2)6-8-14;/h5-12H,3-4H2,1-2H3;1H
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Luminol 钠盐CAS号: 20666-12-0分子式: C8H6N3O2Na 分子量: 199.14IUPAC Name: sodium;8-amino-2H-phthalazin-3-ide-1,4-dioneSMILES: C1=CC2=C(C(=C1)N)C(=O)N[N-]C2=O.[Na+]InChIKey: RVJVDCVIJCBUTH-UHFFFAOYSA-MInChI: 1S/C8H7N3O2.Na/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12;/h1-3H,(H4,9,10,11,12,13);/q;+1/p-1
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LDN-192960CAS号: 184582-62-5分子式: C18H20N2O2S 分子量: 328.43IUPAC Name: 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amineSMILES: COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCCN)OCInChIKey: ZFOMCSNUEHMROO-UHFFFAOYSA-NInChI: 1S/C18H20N2O2S/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3
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JIB-04,Jumonji组蛋白脱甲基酶抑制剂CAS号: 199596-05-9分子式: C17H13ClN4 分子量: 308.76IUPAC Name: 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amineSMILES: C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3InChIKey: YHHFKWKMXWRVTJ-OQKWZONESA-NInChI: 1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
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JK184,刺猬信号抑制剂CAS号: 315703-52-7分子式: C19H18N4OS 分子量: 350.44IUPAC Name: N-(4-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amineSMILES: CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C4N3C=CC=C4)CInChIKey: ROYXIPOUVGDTAO-UHFFFAOYSA-NInChI: 1S/C19H18N4OS/c1-3-24-15-9-7-14(8-10-15)21-19-22-16(12-25-19)18-13(2)20-17-6-4-5-11-23(17)18/h4-12H,3H2,1-2H3,(H,21,22)
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GMX1778,NF-κβ抑制剂CAS号: 200484-11-3分子式: C19H22ClN5O 分子量: 371.86IUPAC Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidineSMILES: C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=NC=C2)ClInChIKey: BOIPLTNGIAPDBY-UHFFFAOYSA-NInChI: 1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
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Tenatoprazole,质子泵抑制剂CAS号: 113712-98-4 Compound CID : 636411分子式: C16H18N4O3S 分子量: 346.4IUPAC Name: 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-imidazo[4,5-b]pyridineSMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=CC(=N3)OCInChIKey: ZBFDAUIVDSSISP-UHFFFAOYSA-NInChI: 1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)
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盐酸雷莫司琼CAS号: 132907-72-3 Compound CID : 107999分子式: C17H18ClN3O 分子量: 315.8IUPAC Name: (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone;hydrochlorideSMILES: CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.ClInChIKey: XIXYTCLDXQRHJO-RFVHGSKJSA-NInChI: 1S/C17H17N3O.ClH/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14;/h2-5,9-11H,6-8H2,1H3,(H,18,19);1H/t11-;/m1./s1
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盐酸丙哌维林CAS号: 54556-98-8 Compound CID : 441412分子式: C23H29NO3 · HCl 分子量: 403.94IUPAC Name: (1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate;hydrochlorideSMILES: CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCN(CC3)C.ClInChIKey: KFUJMHHNLGCTIJ-UHFFFAOYSA-NInChI: 1S/C23H29NO3.ClH/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21;/h4-13,21H,3,14-18H2,1-2H3;1H
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