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磷酸甘油酸脱氢酶 (PHGDH)
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PKUMDL WQ 2201,3-磷酸甘油酸脱氢酶（PHGDH）的负变构调节剂CAS号: 592474-91-4 Compound CID : 6875399分子式: C15H14ClN3O3S 分子量: 351.81IUPAC Name: 2-chloro-4-[5-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acidSMILES: CCNC(=S)NN=CC1=CC=C(O1)C2=CC(=C(C=C2)C(=O)O)ClInChIKey: XPACBFAEZIPDRT-QGMBQPNBSA-NInChI: 1S/C15H14ClN3O3S/c1-2-17-15(23)19-18-8-10-4-6-13(22-10)9-3-5-11(14(20)21)12(16)7-9/h3-8H,2H2,1H3,(H,20,21)(H2,17,19,23)/b18-8+
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PKUMDL WQ 2101,3-磷酸 甘油酸脱氢酶（PHGDH）的负变构调节剂CAS号: 304481-72-9 Compound CID : 135781546分子式: C14H11N3O6 分子量: 317.25IUPAC Name: 2,4-dihydroxy-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamideSMILES: C1=CC(=C(C=C1[N+](=O)[O-])C=NNC(=O)C2=C(C=C(C=C2)O)O)OInChIKey: OXONIXZPWKJHMW-CHHVJCJISA-NInChI: 1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)/b15-7-
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CBR 5884CAS号: 681159-27-3分子式: C14H12N2O4S2 分子量: 336.39IUPAC Name: ethyl 5-(furan-2-carbonylamino)-3-methyl-4-thiocyanatothiophene-2-carboxylateSMILES: CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CO2)SC#N)CInChIKey: QBVIRPJBDIZKBC-UHFFFAOYSA-NInChI: 1S/C14H12N2O4S2/c1-3-19-14(18)11-8(2)10(21-7-15)13(22-11)16-12(17)9-5-4-6-20-9/h4-6H,3H2,1-2H3,(H,16,17)
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D-（-）-3-磷酸甘油二钠盐CAS号: 80731-10-8分子式: C3H5O7P・2Na 分子量: 230.02IUPAC Name: disodium;(2R)-2-hydroxy-3-[hydroxy(oxido)phosphoryl]oxypropanoateSMILES: [Na+].[Na+].O[C@H](COP(O)([O-])=O)C([O-])=OInChIKey: RGCJWQYUZHTJBE-YBBRRFGFSA-LInChI: 1S/C3H7O7P.2Na/c4-2(3(5)6)1-10-11(7,8)9;;/h2,4H,1H2,(H,5,6)(H2,7,8,9);;/q;2*+1/p-2/t2-;;/m1../s1
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NCT-503CAS号: 1916571-90-8分子式: C20H23F3N4S 分子量: 408.48IUPAC Name: N-(4,6-dimethylpyridin-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbothioamideSMILES: CC1=CC(=NC(=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)C(F)(F)F)CInChIKey: PJNSZIQUFLWRLH-UHFFFAOYSA-NInChI: 1S/C20H23F3N4S/c1-14-11-15(2)24-18(12-14)25-19(28)27-9-7-26(8-10-27)13-16-3-5-17(6-4-16)20(21,22)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,28)
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CBR 5884CAS号: 681159-27-3分子式: C14H12N2O4S2 分子量: 336.39IUPAC Name: ethyl 5-(furan-2-carbonylamino)-3-methyl-4-thiocyanatothiophene-2-carboxylateSMILES: CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CO2)SC#N)CInChIKey: QBVIRPJBDIZKBC-UHFFFAOYSA-NInChI: 1S/C14H12N2O4S2/c1-3-19-14(18)11-8(2)10(21-7-15)13(22-11)16-12(17)9-5-4-6-20-9/h4-6H,3H2,1-2H3,(H,16,17)
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BI-4916CAS号: 2244451-48-5 Compound CID : 138911337分子式: C23H24Cl2N2O6S 分子量: 527.42IUPAC Name: ethyl 2-[4-[(1S)-1-[(4,5-dichloro-1,6-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]phenyl]sulfonylacetateSMILES: CCOC(=O)CS(=O)(=O)C1=CC=C(C=C1)C(CO)NC(=O)C2=CC3=C(N2C)C=C(C(=C3Cl)Cl)CInChIKey: HCDAVCLCBXIYPW-QGZVFWFLSA-NInChI: 1S/C23H24Cl2N2O6S/c1-4-33-20(29)12-34(31,32)15-7-5-14(6-8-15)17(11-28)26-23(30)19-10-16-18(27(19)3)9-13(2)21(24)22(16)25/h5-10,17,28H,4,11-12H2,1-3H3,(H,26,30)/t17-/m1/s1
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BI-4924CAS号: 2244452-09-1分子式: C21H20Cl2N2O6S 分子量: 499.36SMILES: O=C(O)CS(=O)(C1=CC=C([C@H](NC(C(N2C)=CC3=C2C=C(C)C(Cl)=C3Cl)=O)CO)C=C1)=O
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PHGDH-inactiveCAS号: 1914971-16-6 Compound CID : 49853203分子式: C17H21N5S 分子量: 327.45IUPAC Name: N-(4,6-dimethylpyridin-2-yl)-4-pyridin-4-ylpiperazine-1-carbothioamideSMILES: CC1=CC(=NC(=C1)NC(=S)N2CCN(CC2)C3=CC=NC=C3)CInChIKey: ITLPIAAGIQAGRA-UHFFFAOYSA-NInChI: 1S/C17H21N5S/c1-13-11-14(2)19-16(12-13)20-17(23)22-9-7-21(8-10-22)15-3-5-18-6-4-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,23)
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PHGDH-IN-3CAS号: 2893778-31-7分子式: C24H18FN3O4S2 分子量: 495.55SMILES: CC(C1=CC=CC(NS(=O)(C2=CC=C(C=C2)C(NC3=NC(C4=CC=CC(F)=C4)=CS3)=O)=O)=C1)=O
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NCT-502CAS号: 1542213-00-2 Compound CID : 49853368分子式: C18H20F3N5S 分子量: 395.45IUPAC Name: N-(4,6-dimethylpyridin-2-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamideSMILES: CC1=CC(=NC(=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)CInChIKey: HHKPPMSUPATMKP-UHFFFAOYSA-NInChI: 1S/C18H20F3N5S/c1-12-9-13(2)23-15(10-12)24-17(27)26-7-5-25(6-8-26)16-4-3-14(11-22-16)18(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H,23,24,27)
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