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小分子和化合物库
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胡椒碱分子式: C17H19NO3 分子量: 285.37IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-oneSMILES: C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-NInChI: InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
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Linoleylethanolamide,失活的类似物CAS号 : 68171-52-8 Compound CID : 5283446分子式: C20H37NO2 分子量: 323.51IUPAC Name: (9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamideSMILES: CCCCCC=CCC=CCCCCCCCC(=O)NCCOInChIKey: KQXDGUVSAAQARU-HZJYTTRNSA-NInChI: InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-
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Autophinib,VPS34抑制剂CAS号 : 1644443-47-9 Compound CID : 129626605分子式: C14H11ClN6O3 分子量: 346.73IUPAC Name: 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-nitrophenoxy)pyrimidin-4-amineSMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)OC3=CC=C(C=C3)[N+](=O)[O-])ClInChIKey: CEUMAXLRGBKFQP-UHFFFAOYSA-NInChI: InChI=1S/C14H11ClN6O3/c1-8-6-13(20-19-8)17-12-7-11(15)16-14(18-12)24-10-4-2-9(3-5-10)21(22)23/h2-7H,1H3,(H2,16,17,18,19,20)
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A 784168,TRPV1拮抗剂CAS号 : 824982-41-4 Compound CID : 11420211分子式: C19H15F6N3O3S 分子量: 479.40IUPAC Name: 1-[3-(trifluoromethyl)pyridin-2-yl]-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamideSMILES: C1CN(CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C3=C(C=CC=N3)C(F)(F)FInChIKey: SDUAWRFBHRAFBM-UHFFFAOYSA-NInChI: InChI=1S/C19H15F6N3O3S/c20-18(21,22)15-2-1-9-26-16(15)28-10-7-12(8-11-28)17(29)27-13-3-5-14(6-4-13)32(30,31)19(23,24)25/h1-7,9H,8,10-11H2,(H,27,29)
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KU 60019CAS号 : 925701-46-8 Compound CID : 15953870分子式: C30H33N3O5S 分子量: 547.67IUPAC Name: 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamideSMILES: CC1CN(CC(O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6InChIKey: SCELLOWTHJGVIC-BGYRXZFFSA-NInChI: InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+
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AMG-517CAS号 : 659730-32-2(DMSO)分子式: C20H13F3N4O2S 分子量: 430.4SMILES: CC(=O)NC1=NC2=C(S1)C=CC=C2OC3=CC(=NC=N3)C4=CC=C(C=C4)C(F)(F)F
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KU-60019CAS号 : 925701-49-1(DMSO)分子式: C30H33N3O5S 分子量: 547.67SMILES: CC1CN(CC(C)O1)CC(=O)NC2=CC3=C(SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6)C=C2
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SB705498CAS号 : 501951-42-4(DMSO)分子式: C17H16BrF3N4O 分子量: 429.23SMILES: FC(F)(F)C1=CN=C(C=C1)N2CCC(C2)NC(=O)NC3=CC=CC=C3Br
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Torin 2CAS号 : 1223001-51-1(DMSO)分子式: C24H15F3N4O 分子量: 432.4SMILES: NC1=CC=C(C=N1)C2=CC=C3N=CC4=C(N(C(=O)C=C4)C5=CC=CC(=C5)C(F)(F)F)C3=C2
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胡椒碱CAS号 : 94-62-2(DMSO)分子式: C17H19NO3 分子量: 285.34SMILES: O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N3CCCCC3
