FDA批准的配体 - 小分子和化合物库

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5-氨基-[3,4'双吡啶]-6(1H)-酮(Amrinone)
- ≥98%
CAS号 : 60719-84-8 Compound CID : 3698

分子式: C₁₀H₉N₃O 分子量: 187.2

IUPAC Name: 3-amino-5-pyridin-4-yl-1H-pyridin-2-one

SMILES: C1=CN=CC=C1C2=CNC(=O)C(=C2)N

InChIKey: RNLQIBCLLYYYFJ-UHFFFAOYSA-N

InChI: 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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MK-4827( 尼拉帕尼)
- ≥98%
CAS号 : 1038915-60-4 Compound CID : 24958200

分子式: C₁₉H₂₀N₄O 分子量: 320.39

IUPAC Name: 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide

SMILES: C1CC(CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N

InChIKey: PCHKPVIQAHNQLW-CQSZACIVSA-N

InChI: InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
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奥拉帕尼 (AZD2281, Ku-0059436)
- ≥98%
CAS号 : 763113-22-0 Compound CID : 23725625

分子式: C₂₄H₂₃FN₄O₃ 分子量: 434.46

IUPAC Name: 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one

SMILES: C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

InChIKey: FDLYAMZZIXQODN-UHFFFAOYSA-N

InChI: InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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西洛他唑
- ≥99%
CAS号 : 73963-72-1 Compound CID : 2754

分子式: C₂₀H₂₇N₅O₂ 分子量: 369.46

IUPAC Name: 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one

SMILES: C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4

InChIKey: RRGUKTPIGVIEKM-UHFFFAOYSA-N

InChI: InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)
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瑞卡帕布
- ≥98%
CAS号 : 283173-50-2 Compound CID : 9931954

分子式: C₁₉H₁₈FN₃O 分子量: 323.36

IUPAC Name: 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

SMILES: CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2

InChIKey: HMABYWSNWIZPAG-UHFFFAOYSA-N

InChI: InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)
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瑞卡帕布
- 10mM in DMSO
CAS号 : 283173-50-2 Compound CID : 9931954

分子式: C₁₉H₁₈FN₃O 分子量: 323.36

IUPAC Name: 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

SMILES: CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2

InChIKey: HMABYWSNWIZPAG-UHFFFAOYSA-N

InChI: InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)
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