配体家族 - 小分子和化合物库

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托卡朋
- ≥99%
CAS号: 134308-13-7 Compound CID : 4659569

分子式: C₁₄H₁₁NO₅ 分子量: 273.24

IUPAC Name: (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone

SMILES: CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChIKey: MIQPIUSUKVNLNT-UHFFFAOYSA-N

InChI: 1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
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曲美替尼 (GSK1120212)
- ≥98%
CAS号: 871700-17-3 Compound CID : 11707110

分子式: C₂₆H₂₃FIN₅O₄ 分子量: 615.39

IUPAC Name: N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide

SMILES: CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5

InChIKey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N

InChI: 1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
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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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2-(2,6-二氯苯氨基)苯乙酸
- ≥98%
CAS号: 15307-86-5

分子式: C₁₄H₁₁Cl₂NO₂ 分子量: 296.15

IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid

SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl

InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N

InChI: 1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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OR-486,COMT抑制剂
- ≥98%
CAS号: 7659-29-2

分子式: C₆H₄N₂O₆ 分子量: 200.11

IUPAC Name: 3,5-dinitrobenzene-1,2-diol

SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-]

InChIKey: VDCDWNDTNSWDFJ-UHFFFAOYSA-N

InChI: 1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
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甲氯芬那酸
- ≥98%
CAS号: 644-62-2

分子式: C₁₄H₁₁Cl₂NO₂ 分子量: 296.15

IUPAC Name: 2-(2,6-dichloro-3-methylanilino)benzoic acid

SMILES: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl

InChIKey: SBDNJUWAMKYJOX-UHFFFAOYSA-N

InChI: 1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
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Trametinib (GSK1120212)
- 10mM in DMSO
CAS号: 871700-17-3 Compound CID : 11707110

分子式: C₂₆H₂₃FIN₅O₄ 分子量: 615.39
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氟灭酸
- ≥99%
CAS号: 530-78-9

分子式: C₁₄H₁₀F₃NO₂ 分子量: 281.23

IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acid

SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F

InChIKey: LPEPZBJOKDYZAD-UHFFFAOYSA-N

InChI: 1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
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MS432
Compound CID : 145712394

IUPAC Name: (2S,4R)-1-((S)-20-(tert-Butyl)-1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)phenyl)-1,18-dioxo-3-oxa-2,7,19-triazahenicosan-21-oyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidSee more

SMILES: O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNCCCONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C

InChIKey: KCBAMQOKOLXLOX-BSZYMOERSA-N

InChI: 1S/C50H65F3IN7O6S/c1-31(33-16-18-34(19-17-33)45-32(2)56-30-68-45)57-48(65)41-28-36(62)29-61(41)49(66)46(50(3,4)5)59-42(63)15-12-10-8-6-7-9-11-13-24-55-25-14-26-67-60-47(64)37-21-22-38(51)43(53)44(37)5See more
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RO4987655
- 10mM in DMSO
CAS号: 874101-00-5 Compound CID : 11548630

分子式: C₂₀H₁₉F₃IN₃O₅ 分子量: 565.29
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RO4987655
- ≥99%
CAS号: 874101-00-5 Compound CID : 11548630

分子式: C₂₀H₁₉F₃IN₃O₅ 分子量: 565.29

IUPAC Name: 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide

SMILES: C1CC(=O)N(OC1)CC2=CC(=C(C(=C2F)F)NC3=C(C=C(C=C3)I)F)C(=O)NOCCO

InChIKey: FIMYFEGKMOCQKT-UHFFFAOYSA-N

InChI: 1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)
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