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AT9283
- 10mM in DMSO
CAS号 : 896466-04-9(DMSO)

分子式: C₁₉H₂₃N₇O₂ 分子量: 381.43

SMILES: O=C(NC1CC1)NC2=C[NH]N=C2C3=NC4=CC(=CC=C4[NH]3)CN5CCOCC5
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Alisertib (MLN8237)
- 10mM in DMSO
CAS号 : 1028486-01-2(DMSO)

分子式: C₂₇H₂₀ClFN₄O₄ 分子量: 518.92

SMILES: COC1=C(C(=CC=C1)F)C2=NCC3=C(N=C(NC4=CC(=C(C=C4)C(O)=O)OC)N=C3)C5=C2C=C(Cl)C=C5
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BI-D1870
- 10mM in DMSO
CAS号 : 501437-28-1(DMSO)

分子式: C₁₉H₂₃F₂N₅O₂ 分子量: 391.42

SMILES: CC(C)CCN1C(C)C(=O)N(C)C2=C1N=C(NC3=CC(=C(O)C(=C3)F)F)N=C2
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CYC116
- 10mM in DMSO
CAS号 : 693228-63-6(DMSO)

分子式: C₁₈H₂₀N₆OS 分子量: 368.46

SMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
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TAE684 (NVP-TAE684)
- 2mM in DMSO
CAS号 : 761439-42-3(DMSO)

分子式: C₃₀H₄₀ClN₇O₃S 分子量: 614.2

SMILES: COC1=C(NC2=NC=C(Cl)C(=N2)NC3=C(C=CC=C3)[S](=O)(=O)C(C)C)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5
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苯溴马隆
- 10mM in DMSO
CAS号 : 3562-84-3

分子式: C₁₇H₁₂Br₂O₃ 分子量: 424.08

IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone

SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br

InChIKey: WHQCHUCQKNIQEC-UHFFFAOYSA-N

InChI: InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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Go 6976
- 10mM in DMSO
CAS号 : 136194-77-9

分子式: C₂₄H₁₈N₄O 分子量: 378.43

IUPAC Name: 3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile

SMILES: CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCC#N)CNC4=O

InChIKey: VWVYILCFSYNJHF-UHFFFAOYSA-N

InChI: InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
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LJH685
- 10mM in DMSO
CAS号 : 1627710-50-2

分子式: C₂₂H₂₁F₂N₃O 分子量: 381.42

IUPAC Name: 2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol

SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F

InChIKey: IKUFKDGKRLMXEX-UHFFFAOYSA-N

InChI: InChI=1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3
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Lesinurad
- 10mM in DMSO
CAS号 : 878672-00-5

分子式: C₁₇H₁₄BrN₃O₂S 分子量: 404.28

IUPAC Name: 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

SMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O

InChIKey: FGQFOYHRJSUHMR-UHFFFAOYSA-N

InChI: InChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)
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(±)-磺吡酮
- 10mM in DMSO
CAS号 : 57-96-5 Compound CID : 5342

分子式: C₂₃H₂₀N₂O₃S 分子量: 404.48

IUPAC Name: 4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione

SMILES: C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4

InChIKey: MBGGBVCUIVRRBF-UHFFFAOYSA-N

InChI: InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
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Verinurad (RDEA3170)
- 10mM in DMSO
CAS号 : 1352792-74-5 Compound CID : 54767229

分子式: C₂₀H₁₆N₂O₂S 分子量: 348.42

IUPAC Name: 2-[3-(4-cyanonaphthalen-1-yl)pyridin-4-yl]sulfanyl-2-methylpropanoic acid

SMILES: CC(C)(C(=O)O)SC1=C(C=NC=C1)C2=CC=C(C3=CC=CC=C32)C#N

InChIKey: YYBOLPLTQDKXPM-UHFFFAOYSA-N

InChI: InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24)
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