配体家族 - 小分子和化合物库

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吗氯贝胺
- ≥98%
CAS号: 71320-77-9 EC号: MFCD00865388

分子式: C₁₃H₁₇ClN₂O₂ 分子量: 268.74

IUPAC Name: 4-chloro-N-(2-morpholin-4-ylethyl)benzamide

SMILES: C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl

InChIKey: YHXISWVBGDMDLQ-UHFFFAOYSA-N

InChI: 1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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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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甲磺酸雷沙吉兰
- ≥99%
CAS号: 161735-79-1 Compound CID : 3052775

分子式: C₁₂H₁₃N·CH₄O₃S 分子量: 267.34

IUPAC Name: methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

SMILES: CS(=O)(=O)O.C#CCNC1CCC2=CC=CC=C12

InChIKey: JDBJJCWRXSVHOQ-UTONKHPSSA-N

InChI: 1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1
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(R)-(-)-丙炔苯丙胺盐酸盐
- ≥98%(HPLC)
CAS号: 14611-52-0

分子式: C₁₃H₁₇N · HCl 分子量: 223.74

IUPAC Name: (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;hydrochloride

SMILES: CC(CC1=CC=CC=C1)N(C)CC#C.Cl

InChIKey: IYETZZCWLLUHIJ-UTONKHPSSA-N

InChI: 1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1
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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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（5Z）-7-氧杂烯醇
- ≥98%
CAS号: 253863-19-3 EC号: 683-694-3

分子式: C₁₉H₂₂O₇ 分子量: 362.37

IUPAC Name: (4S,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

SMILES: COc1cc(O)c2C(=O)O[C@@H](C)CC=CC(=O)[C@@H](O)[C@@H](O)C\C=C\c2c1

InChIKey: NEQZWEXWOFPKOT-BYRRXHGESA-N

InChI: 1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1
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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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(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[3-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]propanoylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrol
Compound CID : 145996530

SMILES: O=C(CCc1ccc(cc1)S(=O)(=O)Nc1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C)NCCOCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C)O

InChIKey: RQBUNBWHIATPNI-WQWWALRQSA-N

InChI: 1S/C53H66FIN8O11S2/c1-32-26-43(49(62(7)51(32)68)59-42-18-15-38(55)27-41(42)54)61-76(70,71)40-16-8-35(9-17-40)10-19-45(65)56-20-21-72-22-23-73-24-25-74-30-46(66)60-48(53(4,5)6)52(69)63-29-39(64)28-44(6See more
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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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Raxatrigine hydrochloride
- 10mM in DMSO
CAS号: 934240-31-0 Compound CID : 16046067

分子式: C₁₈H₂₀ClFN₂O₂ 分子量: 350.8
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Sutezolid
- ≥99%
CAS号: 168828-58-8 Compound CID : 465951

分子式: C₁₆H₂₀FN₃O₃S 分子量: 353.41

IUPAC Name: N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

SMILES: CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCSCC3)F

InChIKey: FNDDDNOJWPQCBZ-ZDUSSCGKSA-N

InChI: 1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
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