Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L4R2DS
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| Ligand Name |
2-[8-(1,3-Benzothiazol-2-Ylcarbamoyl)-3,4-Dihydroisoquinolin-2(1h)-Yl]-5-{3-[4-(1h-Pyrazolo[3,4-D]pyrimidin-1-Yl)phenoxy]propyl}-1,3-Thiazole-4-Carboxylic Acid
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| Synonyms |
CHEMBL3342192; 2-[8-(1,3-Benzothiazol-2-Ylcarbamoyl)-3,4-Dihydroisoquinolin-2(1h)-Yl]-5-{3-[4-(1h-Pyrazolo[3,4-D]pyrimidin-1-Yl)phenoxy]propyl}-1,3-Thiazole-4-Carboxylic Acid; 4tuh; SCHEMBL3364923; BDBM50030761; Q27453624; 38H; 5-(3-(4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy)propyl)-2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylic acid
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| Structure |
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Download2D MOL |
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| Formula |
C35H28N8O4S2
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| Canonical SMILES |
C1CN(CC2=C1C=CC=C2C(=O)NC3=NC4=CC=CC=C4S3)C5=NC(=C(S5)CCCOC6=CC=C(C=C6)N7C8=NC=NC=C8C=N7)C(=O)O
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| InChI |
1S/C35H28N8O4S2/c44-32(41-34-39-27-7-1-2-8-28(27)48-34)25-6-3-5-21-14-15-42(19-26(21)25)35-40-30(33(45)46)29(49-35)9-4-16-47-24-12-10-23(11-13-24)43-31-22(18-38-43)17-36-20-37-31/h1-3,5-8,10-13,17-18,20H,4,9,14-16,19H2,(H,45,46)(H,39,41,44)
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| InChIKey |
LMOJCFKMCAPGGY-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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