Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LBXF12
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| Ligand Name |
tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
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| Synonyms |
tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate; BDBM586502; BHV
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| Structure |
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Download2D MOL
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| Formula |
C38H53F3N6O5
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| Canonical SMILES |
CC(=CC(=O)NCC1=C(C=CC(=C1)C2=NN(C3=C2CN(CC3)C(=O)CC4CCN(CC4)C(=O)OC(C)(C)C)CCCN5CCOCC5)C(F)(F)F)C
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| InChI |
1S/C38H53F3N6O5/c1-26(2)21-33(48)42-24-29-23-28(7-8-31(29)38(39,40)41)35-30-25-46(16-11-32(30)47(43-35)13-6-12-44-17-19-51-20-18-44)34(49)22-27-9-14-45(15-10-27)36(50)52-37(3,4)5/h7-8,21,23,27H,6,9-20,22,24-25H2,1-5H3,(H,42,48)
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| InChIKey |
VGHVCBNZEGIXOJ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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