免疫配体 - 小分子和化合物库

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普纳替尼 (AP24534)
- ≥99%
CAS号 : 943319-70-8 Compound CID : 24826799

分子式: C₂₉H₂₇F₃N₆O 分子量: 532.57

IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5

InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-N

InChI: InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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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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7-Cl-O-Nec1,RIP1抑制剂
- ≥98%
CAS号 : 852391-15-2 Compound CID : 643953

分子式: C₁₃H₁₂ClN₃O₂ 分子量: 277.7

IUPAC Name: 5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione

SMILES: CN1C(=O)C(NC1=O)CC2=CNC3=C2C=CC=C3Cl

InChIKey: WIKGAEMMNQTUGL-UHFFFAOYSA-N

InChI: InChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)
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RIPA-56
- ≥98%
CAS号 : 1956370-21-0 Compound CID : 121439991

分子式: C₁₃H₁₉NO₂ 分子量: 221.3

IUPAC Name: N-benzyl-N-hydroxy-2,2-dimethylbutanamide

SMILES: CCC(C)(C)C(=O)N(CC1=CC=CC=C1)O

InChIKey: AVYVHIKSFXVDBG-UHFFFAOYSA-N

InChI: InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
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TAK-632
- ≥98%
CAS号 : 1228591-30-7 Compound CID : 46209401

分子式: C₂₇H₁₈F₄N₄O₃S 分子量: 554.52

IUPAC Name: N-[7-cyano-6-[4-fluoro-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

SMILES: C1CC1C(=O)NC2=NC3=C(S2)C(=C(C=C3)OC4=CC(=C(C=C4)F)NC(=O)CC5=CC(=CC=C5)C(F)(F)F)C#N

InChIKey: OJFKUJDRGJSAQB-UHFFFAOYSA-N

InChI: InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)
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GSK2982772
- ≥99%
CAS号 : 1622848-92-3 Compound CID : 77108121

分子式: C₂₀H₁₉N₅O₃ 分子量: 377.4

IUPAC Name: 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide

SMILES: CN1C2=CC=CC=C2OCC(C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4

InChIKey: LYPAFUINURXJSG-AWEZNQCLSA-N

InChI: InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1
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GSK'963
- ≥98%
CAS号 : 2049868-46-2 Compound CID : 122703613

分子式: C₁₄H₁₈N₂O 分子量: 230.31

IUPAC Name: 2,2-dimethyl-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one

SMILES: CC(C)(C)C(=O)N1C(CC=N1)C2=CC=CC=C2

InChIKey: NJQVSLWJBLPTMD-LBPRGKRZSA-N

InChI: InChI=1S/C14H18N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t12-/m0/s1
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GSK547
- ≥99%
CAS号 : 2226735-55-1 Compound CID : 134521814

分子式: C₂₀H₁₈F₂N₆O 分子量: 396.39

IUPAC Name: 6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile

SMILES: C1CN(CCC1C(=O)N2C(CC=N2)C3=CC(=CC(=C3)F)F)C4=NC=NC(=C4)C#N

InChIKey: SJVGFKBLUYAEOK-SFHVURJKSA-N

InChI: InChI=1S/C20H18F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h4,7-10,12-13,18H,1-3,5-6H2/t18-/m0/s1
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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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RIPA-56
- 10mM in DMSO
CAS号 : 1956370-21-0 Compound CID : 121439991

分子式: C₁₃H₁₉NO₂ 分子量: 221.3

IUPAC Name: N-benzyl-N-hydroxy-2,2-dimethylbutanamide

SMILES: CCC(C)(C)C(=O)N(CC1=CC=CC=C1)O

InChIKey: AVYVHIKSFXVDBG-UHFFFAOYSA-N

InChI: InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
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