Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LAGC29
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| Ligand Name |
7-(4-{[(4-{[(2r)-4-(Dimethylamino)-1-(Phenylsulfanyl)butan-2-Yl]amino}-3-Nitrophenyl)sulfonyl]carbamoyl}-2-Methylphenyl)-3-[3-(Naphthalen-1-Yloxy)propyl]pyrazolo[1,5-A]pyridine-2-Carboxylic Acid
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| Synonyms |
CHEMBL3126119; 7-(4-{[(4-{[(2r)-4-(Dimethylamino)-1-(Phenylsulfanyl)butan-2-Yl]amino}-3-Nitrophenyl)sulfonyl]carbamoyl}-2-Methylphenyl)-3-[3-(Naphthalen-1-Yloxy)propyl]pyrazolo[1,5-A]pyridine-2-Carboxylic Acid; SCHEMBL21184562; BDBM50448452; Q27462395
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| Structure |
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Download2D MOL
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| Formula |
C47H46N6O8S2
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| Canonical SMILES |
CC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC(=C(C=C2)NC(CCN(C)C)CSC3=CC=CC=C3)[N+](=O)[O-])C4=CC=CC5=C(C(=NN54)C(=O)O)CCCOC6=CC=CC7=CC=CC=C76
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| InChI |
1S/C47H46N6O8S2/c1-31-28-33(46(54)50-63(59,60)36-22-24-40(43(29-36)53(57)58)48-34(25-26-51(2)3)30-62-35-14-5-4-6-15-35)21-23-37(31)41-18-10-19-42-39(45(47(55)56)49-52(41)42)17-11-27-61-44-20-9-13-32-12-7-8-16-38(32)44/h4-10,12-16,18-24,28-29,34,48H,11,17,25-27,30H2,1-3H3,(H,50,54)(H,55,56)/t34-/m1/s1
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| InChIKey |
BNBDPYUSBJEPGX-UUWRZZSWSA-N
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| PubChem Compound ID | ||||
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