免疫配体 - 小分子和化合物库

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沃替西汀
- ≥98%
CAS号 : 508233-74-7 Compound CID : 9966051

分子式: C₁₈H₂₂N₂S 分子量: 298.45

IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine

SMILES: CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C

InChIKey: YQNWZWMKLDQSAC-UHFFFAOYSA-N

InChI: InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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伊马替尼
- ≥99%
CAS号 : 152459-95-5 Compound CID : 5291

分子式: C₂₉H₃₁N₇O 分子量: 493.6

IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N

InChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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氯喹
- ≥97%
CAS号 : 54-05-7 Compound CID : 2719

分子式: C₁₈H₂₆ClN₃ 分子量: 319.87

IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl

InChIKey: WHTVZRBIWZFKQO-UHFFFAOYSA-N

InChI: InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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氟伏沙明
- ≥98%
CAS号 : 54739-18-3 Compound CID : 5324346

分子式: C₁₅H₂₁F₃N₂O₂ 分子量: 318.33

IUPAC Name: 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine

SMILES: COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F

InChIKey: CJOFXWAVKWHTFT-XSFVSMFZSA-N

InChI: InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
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S1RA
- ≥98%
CAS号 : 878141-96-9 Compound CID : 44247568

分子式: C₂₀H₂₃N₃O₂ 分子量: 337.42

IUPAC Name: 4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine

SMILES: CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4

InChIKey: DGPGXHRHNRYVDH-UHFFFAOYSA-N

InChI: InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
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S1RA
- 10mM in DMSO
CAS号 : 878141-96-9 Compound CID : 44247568

分子式: C₂₀H₂₃N₃O₂ 分子量: 337.42

IUPAC Name: 4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine

SMILES: CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4

InChIKey: DGPGXHRHNRYVDH-UHFFFAOYSA-N

InChI: InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
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Vortioxetine
- 10mM in DMSO
CAS号 : 508233-74-7 Compound CID : 9966051

分子式: C₁₈H₂₂N₂S 分子量: 298.45

IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine

SMILES: CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C

InChIKey: YQNWZWMKLDQSAC-UHFFFAOYSA-N

InChI: InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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羟基氯喹
- ≥98%
CAS号 : 118-42-3 Compound CID : 3652

分子式: C₁₈H₂₆ClN₃O 分子量: 335.9

IUPAC Name: 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol

SMILES: CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO

InChIKey: XXSMGPRMXLTPCZ-UHFFFAOYSA-N

InChI: InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
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TLR7/8 agonist 1
- 10mM in DMSO
CAS号 : 1258457-59-8(DMSO)

分子式: C₂₂H₂₅N₅ 分子量: 359.5

SMILES: CCCCC1=NC2=C(N1CC3=CC=C(C=C3)CN)C4=CC=CC=C4N=C2N
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TLR7 agonist 3
- 10mM in DMSO
CAS号 : 1229024-78-5(DMSO)

分子式: C₁₈H₂₄N₄O 分子量: 312.41

SMILES: CCCCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N
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TLR7 agonist 2
- 10mM in DMSO
CAS号 : 1642857-69-9(DMSO)

分子式: C₁₇H₁₆N₆O₂ 分子量: 336.35

SMILES: CC1=CC(=NO1)COC2=NC(=NC3=C2N(C=C3)CC4=CC=CC=N4)N
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PF-4878691
- 10mM in DMSO
CAS号 : 532959-63-0(DMSO)

分子式: C₁₇H₂₃N₅O₂S 分子量: 361.5

SMILES: CCC1=NC2=C(N1CCCCNS(=O)(=O)C)C3=CC=CC=C3N=C2N
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