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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地法替尼
- ≥98%
CAS号: 1073154-85-4

分子式: C₂₀H₂₁F₃N₈O₃S 分子量: 510.49

IUPAC Name: N-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

SMILES: CNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F

InChIKey: FWLMVFUGMHIOAA-UHFFFAOYSA-N

InChI: 1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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SJ988497
IUPAC Name: N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-4-[[4-(1-propylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

SMILES: CCCn1cc(cn1)c1c2cc[nH]c2nc(n1)Nc1ccc(cc1)C(=O)NCCCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O

InChIKey: MPFPDTOOHBZQJD-UHFFFAOYSA-N

InChI: 1S/C36H36N10O5/c1-2-18-45-20-22(19-40-45)30-25-14-17-38-31(25)44-36(43-30)41-23-10-8-21(9-11-23)32(48)39-16-4-3-15-37-26-7-5-6-24-29(26)35(51)46(34(24)50)27-12-13-28(47)42-33(27)49/h5-11,14,17,19-20,2See more
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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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Raxatrigine hydrochloride
- ≥99%
CAS号: 934240-31-0 Compound CID : 16046067

分子式: C₁₈H₂₀ClFN₂O₂ 分子量: 350.8

IUPAC Name: (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide;hydrochloride

SMILES: C1CC(NC1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)N.Cl

InChIKey: HEPUBAGOKRIZEO-PPPUBMIESA-N

InChI: 1S/C18H19FN2O2.ClH/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22;/h1-8,16-17,21H,9-11H2,(H2,20,22);1H/t16-,17+;/m1./s1
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PF03394197
- ≥98%
CAS号: 1208319-26-9 EC号: 950-980-7 Compound CID : 44631938

分子式: C₁₅H₂₃N₅O₂S 分子量: 337.44

IUPAC Name: N-methyl-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methanesulfonamide

SMILES: CNS(=O)(=O)CC1CCC(CC1)N(C)C2=NC=NC3=C2C=CN3

InChIKey: HJWLJNBZVZDLAQ-UHFFFAOYSA-N

InChI: 1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)
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