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酶抑制剂和酶底物
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泊马度胺CAS号 : 19171-19-8 Compound CID : 134780分子式: C13H11N3O4 分子量: 273.24IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NInChIKey: UVSMNLNDYGZFPF-UHFFFAOYSA-NInChI: InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)
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SB525334,TGFBR1抑制剂CAS号 : 356559-20-1 Compound CID : 9967941分子式: C21H21N5 分子量: 343.42IUPAC Name: 6-[2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]quinoxalineSMILES: CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=NC=CN=C4C=C3InChIKey: DKPQHFZUICCZHF-UHFFFAOYSA-NInChI: InChI=1S/C21H21N5/c1-13-6-5-7-16(24-13)19-18(25-20(26-19)21(2,3)4)14-8-9-15-17(12-14)23-11-10-22-15/h5-12H,1-4H3,(H,25,26)
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替戈布韦CAS号 : 1000787-75-6 Compound CID : 23649154分子式: C25H14F7N5 分子量: 517.40IUPAC Name: 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridineSMILES: C1=CC=C(C(=C1)C2=NC3=CN(C=CC3=N2)CC4=NN=C(C=C4)C5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F)FInChIKey: XBEQSQDCBSKCHJ-UHFFFAOYSA-NInChI: InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2
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乌苯美司盐酸盐 [生化研究用]CAS号 : 65391-42-6 Compound CID : 11957481分子式: C16H24N2O4.HCl 分子量: 344.83IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;hydrochlorideSMILES: CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O.ClInChIKey: XGDFITZJGKUSDK-UDYGKFQRSA-NInChI: InChI=1S/C16H24N2O4.ClH/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11;/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22);1H/t12-,13+,14+;/m1./s1
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β-甘油磷酸钠五水合物（β-GP）CAS号 : 13408-09-8 Compound CID : 2735049分子式: C3H7Na2O6P·5H2O 分子量: 306.11IUPAC Name: disodium;1,3-dihydroxypropan-2-yl phosphate;pentahydrateSMILES: C(C(CO)OP(=O)([O-])[O-])O.O.O.O.O.O.[Na+].[Na+]InChIKey: PEMUISUYOHQFQH-UHFFFAOYSA-LInChI: InChI=1S/C3H9O6P.2Na.5H2O/c4-1-3(2-5)9-10(6,7)8;;;;;;;/h3-5H,1-2H2,(H2,6,7,8);;;5*1H2/q;2*+1;;;;;/p-2
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串珠镰刀菌素钠盐CAS号 : 71376-34-6分子式: C4HNaO3 • xH2O 分子量: 120.04 + x(18.02)IUPAC Name: sodium;3,4-dioxocyclobuten-1-olateSMILES: C1=C(C(=O)C1=O)[O-].[Na+]InChIKey: FERDNJVXTWPNSA-UHFFFAOYSA-MInChI: InChI=1S/C4H2O3.Na/c5-2-1-3(6)4(2)7;/h1,5H;/q;+1/p-1
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BML-267,蛋白酪氨酸磷酸酶1B（PTP1B）抑制剂分子式: C11H12N2O5S•C2HF3O2 分子量: 398.31
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Bz 423,ATP合酶抑制剂CAS号 : 216691-95-1 Compound CID : 644335分子式: C27H21ClN2O2 分子量: 440.92IUPAC Name: 7-chloro-5-(4-hydroxyphenyl)-1-methyl-3-(naphthalen-2-ylmethyl)-3H-1,4-benzodiazepin-2-oneSMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)CC3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OInChIKey: HIJCSNHREFFOML-UHFFFAOYSA-NInChI: InChI=1S/C27H21ClN2O2/c1-30-25-13-10-21(28)16-23(25)26(19-8-11-22(31)12-9-19)29-24(27(30)32)15-17-6-7-18-4-2-3-5-20(18)14-17/h2-14,16,24,31H,15H2,1H3
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N-环己烷羰基十五烷基胺CAS号 : 702638-84-4 Compound CID : 53432240分子式: C22H43NO 分子量: 337.58IUPAC Name: 16-amino-1-cyclohexylhexadecan-1-oneSMILES: C1CCC(CC1)C(=O)CCCCCCCCCCCCCCCNInChIKey: RYVGWQDLAVSRHO-UHFFFAOYSA-NInChI: InChI=1S/C22H43NO/c23-20-16-11-9-7-5-3-1-2-4-6-8-10-15-19-22(24)21-17-13-12-14-18-21/h21H,1-20,23H2
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VX 702CAS号 : 745833-23-2 Compound CID : 10341154分子式: C19H12F4N4O2 分子量: 404.32IUPAC Name: 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamideSMILES: C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)FInChIKey: FYSRKRZDBHOFAY-UHFFFAOYSA-NInChI: InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)
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MerbaroneCAS号 : 97534-21-9 Compound CID : 4990817分子式: C11H9N3O3S 分子量: 263.27IUPAC Name: 4,6-dioxo-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamideSMILES: C1=CC=C(C=C1)NC(=O)C2C(=O)NC(=S)NC2=OInChIKey: JARCFMKMOFFIGZ-UHFFFAOYSA-NInChI: InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5,7H,(H,12,15)(H2,13,14,16,17,18)
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