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米利酮CAS号: 78415-72-2 EC号: 278-903-6分子式: C12H9N3O 分子量: 211.22IUPAC Name: 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrileSMILES: CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2InChIKey: PZRHRDRVRGEVNW-UHFFFAOYSA-NInChI: 1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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渥曼青霉素CAS号: 19545-26-7 Compound CID : 312145分子式: C23H24O8 分子量: 428.43IUPAC Name: [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetateSMILES: CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)CInChIKey: QDLHCMPXEPAAMD-QAIWCSMKSA-NInChI: 1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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TC-E 5005,PDE10A抑制剂CAS号: 959705-64-7 Compound CID : 24802717分子式: C15H18N4O 分子量: 270.33IUPAC Name: 12-methoxy-5,7-dimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaeneSMILES: CCCC1=NC(=C2N1C3=C(C=CC(=N3)OC)N=C2C)CInChIKey: YNADXFWEXJTQSZ-UHFFFAOYSA-NInChI: 1S/C15H18N4O/c1-5-6-12-17-10(3)14-9(2)16-11-7-8-13(20-4)18-15(11)19(12)14/h7-8H,5-6H2,1-4H3
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PF 05180999,PDE2A抑制剂CAS号: 1394033-54-5 Compound CID : 60143346分子式: C19H17F3N8 分子量: 414.39IUPAC Name: 4-(azetidin-1-yl)-7-methyl-5-[1-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazineSMILES: CC1=NC(=C2N1N=CN=C2N3CCC3)C4=C(N(N=C4)C)C5=NC=C(C=C5)C(F)(F)FInChIKey: CLGCHUKGBICQTE-UHFFFAOYSA-NInChI: 1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
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NSC781406CAS号: 1676893-24-5 Compound CID : 127025628分子式: C29H27F2N5O5S2 分子量: 627.68IUPAC Name: 2,4-difluoro-N-[2-methoxy-5-[4-[3-(4-methylsulfonylpiperazin-1-yl)prop-1-ynyl]quinolin-6-yl]pyridin-3-yl]benzenesulfonamideSMILES: COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCN4CCN(CC4)S(=O)(=O)C)NS(=O)(=O)C5=C(C=C(C=C5)F)FInChIKey: BBRINJUWZRLWKK-UHFFFAOYSA-NInChI: 1S/C29H27F2N5O5S2/c1-41-29-27(34-43(39,40)28-8-6-23(30)18-25(28)31)17-22(19-33-29)21-5-7-26-24(16-21)20(9-10-32-26)4-3-11-35-12-14-36(15-13-35)42(2,37)38/h5-10,16-19,34H,11-15H2,1-2H3
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PIK-108CAS号: 901398-68-3 Compound CID : 70686584分子式: C22H24N2O3 分子量: 364.44IUPAC Name: 8-(1-anilinoethyl)-6-methyl-2-morpholin-4-ylchromen-4-oneSMILES: CC1=CC2=C(C(=C1)C(C)NC3=CC=CC=C3)OC(=CC2=O)N4CCOCC4InChIKey: VRCXIJAYLCUSHC-UHFFFAOYSA-NInChI: 1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3
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SAR-260301CAS号: 1260612-13-2 Compound CID : 135565159分子式: C19H22N4O3 分子量: 354.40IUPAC Name: 2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-morpholin-4-yl-1H-pyrimidin-6-oneSMILES: CC1CC2=CC=CC=C2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4InChIKey: UAXHPOBBKRWJGA-ZDUSSCGKSA-NInChI: 1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)/t13-/m0/s1
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PF-05085727CAS号: 1415637-72-7 Compound CID : 71488864分子式: C20H18F3N7 分子量: 413.4IUPAC Name: 4-(azetidin-1-yl)-1-methyl-3-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[3,4-d]pyrimidineSMILES: CN1C(=C(C=N1)C2=NN(C3=C2C(=NC=N3)N4CCC4)C)C5=CC=C(C=C5)C(F)(F)FInChIKey: SHAVEYUXRBIMLA-UHFFFAOYSA-NInChI: 1S/C20H18F3N7/c1-28-17(12-4-6-13(7-5-12)20(21,22)23)14(10-26-28)16-15-18(29(2)27-16)24-11-25-19(15)30-8-3-9-30/h4-7,10-11H,3,8-9H2,1-2H3
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