Phosphodiesterase (PDE)
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盐酸阿那格雷CAS号 : 58579-51-4 Compound CID : 135413494分子式: C10H7Cl2N3O·HCl 分子量: 292.55IUPAC Name: 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochlorideSMILES: C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3.ClInChIKey: TVWRQCIPWUCNMI-UHFFFAOYSA-NInChI: InChI=1S/C10H7Cl2N3O.ClH/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;/h1-2H,3-4H2,(H,13,14,16);1H
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5-氨基-[3,4'双吡啶]-6(1H)-酮(Amrinone)CAS号 : 60719-84-8 Compound CID : 3698分子式: C10H9N3O 分子量: 187.2IUPAC Name: 3-amino-5-pyridin-4-yl-1H-pyridin-2-oneSMILES: C1=CN=CC=C1C2=CNC(=O)C(=C2)NInChIKey: RNLQIBCLLYYYFJ-UHFFFAOYSA-NInChI: InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)
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氨茶碱分子式: C16H24N10O4 分子量: 420.43IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamineSMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)NInChIKey: FQPFAHBPWDRTLU-UHFFFAOYSA-NInChI: InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2
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左西孟旦CAS号 : 141505-33-1 Compound CID : 3033825分子式: C14H12N6O 分子量: 280.28IUPAC Name: 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrileSMILES: CC1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#NInChIKey: WHXMKTBCFHIYNQ-SECBINFHSA-NInChI: InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1
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米利酮CAS号 : 78415-72-2 Compound CID : 4197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: InChI=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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去甲他达拉非CAS号 : 171596-36-4 Compound CID : 9820973分子式: C21H17N3O4 分子量: 375.38IUPAC Name: (2R,8R)-2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dioneSMILES: C1C2C(=O)NCC(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6InChIKey: XHDLVMPUSXRZOS-FOIQADDNSA-NInChI: InChI=1S/C21H17N3O4/c25-18-9-22-21(26)15-8-13-12-3-1-2-4-14(12)23-19(13)20(24(15)18)11-5-6-16-17(7-11)28-10-27-16/h1-7,15,20,23H,8-10H2,(H,22,26)/t15-,20-/m1/s1
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N-(6-氨基己基)-5-氯-1-萘磺酰胺盐酸盐CAS号 : 61714-27-0 Compound CID : 124887分子式: C16H21ClN2O2S·HCl 分子量: 377.33IUPAC Name: N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide;hydrochlorideSMILES: C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCCCCCN.ClInChIKey: OMMOSRLIFSCDBL-UHFFFAOYSA-NInChI: InChI=1S/C16H21ClN2O2S.ClH/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18;/h5-10,19H,1-4,11-12,18H2;1H
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Oglemilast,抑制剂CAS号 : 778576-62-8 Compound CID : 11387409分子式: C20H13Cl2F2N3O5S 分子量: 516.30IUPAC Name: N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamideSMILES: CS(=O)(=O)NC1=CC2=C(C=C1)OC3=C(C=CC(=C23)C(=O)NC4=C(C=NC=C4Cl)Cl)OC(F)FInChIKey: OKFDRAHPFKMAJH-UHFFFAOYSA-NInChI: InChI=1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28)
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奥普力农CAS号 : 106730-54-5 Compound CID : 4593分子式: C14H10N4O 分子量: 250.26IUPAC Name: 5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxo-1H-pyridine-3-carbonitrileSMILES: CC1=C(C=C(C(=O)N1)C#N)C2=CN3C=CN=C3C=C2InChIKey: JPAWFIIYTJQOKW-UHFFFAOYSA-NInChI: InChI=1S/C14H10N4O/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10/h2-6,8H,1H3,(H,17,19)
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PF-8380,特定自分泌运动抑制剂CAS号 : 1144035-53-9 Compound CID : 25265312分子式: C22H21Cl2N3O5 分子量: 478.33IUPAC Name: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylateSMILES: C1CN(CCN1CCC(=O)C2=CC3=C(C=C2)NC(=O)O3)C(=O)OCC4=CC(=CC(=C4)Cl)ClInChIKey: JMSUDQYHPSNBSN-UHFFFAOYSA-NInChI: InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)
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PF-04447943,人重组PDE9A抑制剂CAS号 : 1082744-20-4 Compound CID : 135564558分子式: C20H25N7O2 分子量: 395.46IUPAC Name: 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-oneSMILES: CC1CN(CC1C2=NC3=C(C=NN3C4CCOCC4)C(=O)N2)CC5=NC=CC=N5InChIKey: IWXUVYOOUMLUTQ-CZUORRHYSA-NInChI: InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1