小分子和化合物库
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阿利吉仑半富马酸盐CAS号: 173334-58-2 Compound CID : 6918427分子式: C30H53N3O6·1/2C4H4O4 分子量: 609.83IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;(E)-but-2-enedioic acidSMILES: CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=CC(=O)O)C(=O)OInChIKey: KLRSDBSKUSSCGU-KRQUFFFQSA-NInChI: See more
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精氨酸-苯丙氨酸-天冬氨酸-丝氨酸CAS号: 102567-19-1 Compound CID : 10346696分子式: C22H33N7O8 分子量: 523.54IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CCCN=C(N)N)NInChIKey: SAGYNNXCQOFQHW-VGWMRTNUSA-NInChI: See more
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1-(3,4-二氯苄基)-1H-吲哚-2,3-二酮CAS号: 79183-19-0分子式: C15H9Cl2NO2 分子量: 306.14IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]indole-2,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC(=C(C=C3)Cl)ClInChIKey: KGRJPLRFGLMQMV-UHFFFAOYSA-NInChI: 1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2
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N-[4-[[3-氯-4-[(3-氟苯基)甲氧基]苯基]氨基]-6-喹唑啉基]-2-丙烯酰胺对甲苯磺酸盐CAS号: 1050500-29-2分子式: C24H18ClFN4O2·C7H8O3S 分子量: 621.08IUPAC Name: N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide;4-methylbenzenesulfonic acidSMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)ClInChIKey: ZMUKJEHWLJBODV-UHFFFAOYSA-NInChI: See more
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ARRY-380CAS号: 937265-83-3分子式: C29H27N7O4S 分子量: 569.63IUPAC Name: 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amineSMILES: CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C4=CC=C(O4)CNCCS(=O)(=O)C)OC5=CC6=NC=NN6C=C5InChIKey: QVMNYGOVNWWFKF-UHFFFAOYSA-NInChI: See more
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L-苏-二氢鞘氨醇(d18:0)CAS号: 15639-50-6分子式: C18H39NO2 分子量: 301.51IUPAC Name: (2S,3S)-2-aminooctadecane-1,3-diolSMILES: CCCCCCCCCCCCCCCC(C(CO)N)OInChIKey: OTKJDMGTUTTYMP-ROUUACIJSA-NInChI: 1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m0/s1
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兰索拉唑磺酸盐CAS号: 131926-99-3分子式: C16H14F3N3O3S 分子量: 385.36IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfonyl]-1H-benzimidazoleSMILES: CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)FInChIKey: TVMJMCGRSSSSDJ-UHFFFAOYSA-NInChI: 1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
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盐酸拉贝洛尔CAS号: 32780-64-6 EC号: 251-211-1分子式: C19H24N2O3 · HCl 分子量: 364.87IUPAC Name: 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochlorideSMILES: CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.ClInChIKey: WQVZLXWQESQGIF-UHFFFAOYSA-NInChI: 1S/C19H24N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H
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(±)-肾上腺素 盐酸盐分子式: C9H13NO3 · HCl 分子量: 219.67IUPAC Name: 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochlorideSMILES: CNCC(C1=CC(=C(C=C1)O)O)O.ClInChIKey: ATADHKWKHYVBTJ-UHFFFAOYSA-NInChI: 1S/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H
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盐酸利多卡因一水合物CAS号: 6108-05-0分子式: C14H22N2O · HCl · H2O 分子量: 288.81IUPAC Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrate;hydrochlorideSMILES: CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.O.ClInChIKey: YECIFGHRMFEPJK-UHFFFAOYSA-NInChI: 1S/C14H22N2O.ClH.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H;1H2
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![N-[4-[[3-氯-4-[(3-氟苯基)甲氧基]苯基]氨基]-6-喹唑啉基]-2-丙烯酰胺对甲苯磺酸盐](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/A/1/A129426.png)






