免疫配体 - 小分子和化合物库

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PJ34,PARPl/2 抑制剂
- ≥98%
CAS号 : 344458-19-1 Compound CID : 4858

分子式: C₁₇H₁₇N₃O₂ 分子量: 295.34

IUPAC Name: 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide

SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32

InChIKey: UYJZZVDLGDDTCL-UHFFFAOYSA-N

InChI: InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
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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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BX-795,PDK1抑制剂
- ≥97%
CAS号 : 702675-74-9 Compound CID : 10077147

分子式: C₂₃H₂₆IN₇O₂S 分子量: 591.47

IUPAC Name: N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide

SMILES: C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I

InChIKey: VAVXGGRQQJZYBL-UHFFFAOYSA-N

InChI: InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
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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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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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PF-06928215
- ≥98%
CAS号 : 2378173-15-8 Compound CID : 137300622

分子式: C₂₀H₂₀N₄O₄ 分子量: 380.4

IUPAC Name: (1R,2S)-2-[(7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

SMILES: C1CCC(C(C1)C(=O)O)NC(=O)C2=CNN3C2=NC(=CC3=O)C4=CC=CC=C4

InChIKey: WGQGCLHXUPGUSZ-HIFRSBDPSA-N

InChI: InChI=1S/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,21H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1
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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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