Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LBV93A
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| Ligand Name |
4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine
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| Synonyms |
CHEMBL5087229; 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine; BDBM50585399; 7OE
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| Structure |
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Download2D MOL |
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| Formula |
C33H32F2N6O
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| Canonical SMILES |
C#CC1=C(C=CC2=C1C(=CC=C2)C3=NC=C4C(=C3F)N=C(N=C4N5CC6CCC(C5)N6)OCC78CCCN7CCC8)F
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| InChI |
1S/C33H32F2N6O/c1-2-23-26(34)11-8-20-6-3-7-24(27(20)23)29-28(35)30-25(16-36-29)31(40-17-21-9-10-22(18-40)37-21)39-32(38-30)42-19-33-12-4-14-41(33)15-5-13-33/h1,3,6-8,11,16,21-22,37H,4-5,9-10,12-15,17-19H2/t21-,22+
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| InChIKey |
ZTNYCXFMFVBHIY-SZPZYZBQSA-N
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| PubChem Compound ID | ||||
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