配体家族 - 小分子和化合物库

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罗格列酮
- ≥98%
CAS号: 122320-73-4 Compound CID : 77999

分子式: C₁₈H₁₉N₃O₃S 分子量: 357.43

IUPAC Name: 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

SMILES: CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3

InChIKey: YASAKCUCGLMORW-UHFFFAOYSA-N

InChI: 1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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苯扎贝特
- ≥98%
CAS号: 41859-67-0 EC号: 255-567-9

分子式: C₁₉H₂₀ClNO₄ 分子量: 361.82

IUPAC Name: 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid

SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl

InChIKey: IIBYAHWJQTYFKB-UHFFFAOYSA-N

InChI: 1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
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环丙贝特
- ≥98%(GC)
CAS号: 52214-84-3 EC号: 257-744-6

分子式: C₁₃H₁₄Cl₂O₃ 分子量: 289.15

IUPAC Name: 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid

SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl

InChIKey: KPSRODZRAIWAKH-UHFFFAOYSA-N

InChI: 1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
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吉非罗齐
- ≥99%
CAS号: 25812-30-0 EC号: 247-280-2

分子式: C₁₅H₂₂O₃ 分子量: 250.33

IUPAC Name: 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid

SMILES: CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O

InChIKey: HEMJJKBWTPKOJG-UHFFFAOYSA-N

InChI: 1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
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替格列扎
- ≥95%(HPLC)
CAS号: 251565-85-2 Compound CID : 208901

分子式: C₂₀H₂₄O₇S 分子量: 408.47

IUPAC Name: (2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoic acid

SMILES: CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

InChIKey: CXGTZJYQWSUFET-IBGZPJMESA-N

InChI: 1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
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TC-A 2317 盐酸盐
- ≥98%(HPLC)
CAS号: 1245907-03-2 Compound CID : 46911725

分子式: C₁₉H₂₈N₆O.HCl 分子量: 392.93

IUPAC Name: 2-[(6-hydroxy-6-methylheptan-2-yl)amino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile;hydrochloride

SMILES: CC1=CC(=NC(=C1C#N)NC(C)CCCC(C)(C)O)NC2=NNC(=C2)C.Cl

InChIKey: DXVATYHPJJPMIN-UHFFFAOYSA-N

InChI: 1S/C19H28N6O.ClH/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26;/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25);1H
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PD 180970,p210Bcr / Ablkinase抑制剂
- ≥98%(HPLC)
CAS号: 287204-45-9 Compound CID : 5311104

分子式: C₂₁H₁₅Cl₂FN₄O 分子量: 429.27

IUPAC Name: 6-(2,6-dichlorophenyl)-2-(4-fluoro-3-methylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one

SMILES: CC1=C(C=CC(=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=C(C=CC=C4Cl)Cl)F

InChIKey: SLCFEJAMCRLYRG-UHFFFAOYSA-N

InChI: 1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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Ibrutinib (PCI-32765)
- 10mM in DMSO
CAS号: 936563-96-1

分子式: C₂₅H₂₄N₆O₂ 分子量: 440.5
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SM1-71
- 10mM in DMSO
CAS号: 2088179-99-9 Compound CID : 131801160

分子式: C₂₄H₂₆ClN₇O 分子量: 463.96
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SM1-71
- ≥96%
CAS号: 2088179-99-9 Compound CID : 131801160

分子式: C₂₄H₂₆ClN₇O 分子量: 463.96

IUPAC Name: N-[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NC(=O)C=C)Cl

InChIKey: SCMLGVPMSXTUNC-UHFFFAOYSA-N

InChI: 1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)
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