免疫配体 - 小分子和化合物库

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马拉韦罗
- ≥98%
CAS号 : 376348-65-1 Compound CID : 3002977

分子式: C₂₉H₄₁F₂N₅O 分子量: 513.67

IUPAC Name: 4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide

SMILES: CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C

InChIKey: GSNHKUDZZFZSJB-HLMSNRGBSA-N

InChI: InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1
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919,小分子IDO途径抑制剂
- ≥98%
CAS号 : 1402836-58-1 Compound CID : 66558287

分子式: C₁₈H₂₂N₂O 分子量: 282.38

IUPAC Name: 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

SMILES: C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O

InChIKey: YTRRAUACYORZLX-UHFFFAOYSA-N

InChI: InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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白藜芦醇
CAS号 : 501-36-0 Compound CID : 445154

分子式: C₁₄H₁₂O₃ 分子量: 228.24

IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O

InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N

InChI: InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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SB 202190,p38 MAPK抑制剂
- ≥99%
CAS号 : 152121-30-7 Compound CID : 5169

分子式: C₂₀H₁₄FN₃O 分子量: 331.34

IUPAC Name: 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol

SMILES: C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)O

InChIKey: QHKYPYXTTXKZST-UHFFFAOYSA-N

InChI: InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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溴莫尼定
- ≥98%(HPLC)
CAS号 : 59803-98-4 Compound CID : 2435

分子式: C₁₁H₁₀BrN₅ 分子量: 292.135

IUPAC Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine

SMILES: C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br

InChIKey: XYLJNLCSTIOKRM-UHFFFAOYSA-N

InChI: InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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西尼昔洛韦
- ≥97%
CAS号 : 497223-25-3 Compound CID : 11285792

分子式: C₄₁H₅₂N₄O₄S 分子量: 696.95

IUPAC Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide

SMILES: CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)CC5=CN=CN5CCC)CC(C)C

InChIKey: PNDKCRDVVKJPKG-WHERJAGFSA-N

InChI: InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1
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GSK 2239633A,CCR4拮抗剂
- ≥98%(HPLC)
CAS号 : 1240516-71-5 Compound CID : 46861584

分子式: C₂₄H₂₅ClN₄O₅S₂ 分子量: 549.06

IUPAC Name: N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide

SMILES: CC(C)(C(=O)NCC1=CC(=CC=C1)CN2C3=C(C(=CC=C3)OC)C(=N2)NS(=O)(=O)C4=CC=C(S4)Cl)O

InChIKey: YTEVTHHGQMUPHC-UHFFFAOYSA-N

InChI: InChI=1S/C24H25ClN4O5S2/c1-24(2,31)23(30)26-13-15-6-4-7-16(12-15)14-29-17-8-5-9-18(34-3)21(17)22(27-29)28-36(32,33)20-11-10-19(25)35-20/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28)
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特非那定
- ≥98%
CAS号 : 50679-08-8 Compound CID : 5405

分子式: C₃₂H₄₁NO₂ 分子量: 471.67

IUPAC Name: 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol

SMILES: CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

InChIKey: GUGOEEXESWIERI-UHFFFAOYSA-N

InChI: InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
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NLG919
- 10mM in DMSO
CAS号 : 1402836-58-1 Compound CID : 66558287

分子式: C₁₈H₂₂N₂O 分子量: 282.38

IUPAC Name: 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

SMILES: C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O

InChIKey: YTRRAUACYORZLX-UHFFFAOYSA-N

InChI: InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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Nifeviroc
- ≥98%
CAS号 : 934740-33-7 Compound CID : 16663418

分子式: C₃₃H₄₂N₄O₆ 分子量: 590.71

IUPAC Name: (4-nitrophenyl)methyl N-[1-[[(3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate

SMILES: C=CCN(C1CCN(CC1)CC2CN(CC2(C3=CC=CC=C3)O)C(=O)C4CCCC4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChIKey: JNSKQYZFEVKYDB-UVMMSNCQSA-N

InChI: InChI=1S/C33H42N4O6/c1-2-18-36(32(39)43-23-25-12-14-30(15-13-25)37(41)42)29-16-19-34(20-17-29)21-28-22-35(31(38)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,40H,1,6-9,16-24H2/t28-,33-/m0/s1
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Aplaviroc hydrochloride
- ≥99%
CAS号 : 461023-63-2 Compound CID : 6918686

分子式: C₃₃H₄₄ClN₃O₆ 分子量: 614.17

IUPAC Name: 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid;hydrochloride

SMILES: CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)C(C5CCCCC5)O.Cl

InChIKey: QNNBMSGFNQRUEH-PQQSRXGVSA-N

InChI: InChI=1S/C33H43N3O6.ClH/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40;/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40);1H/t28-,29-;/m1./s1
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