Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LH8Y1W
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| Ligand Name |
1-{(3r,3ar)-3-[3-(4-Acetylpiperazin-1-Yl)propyl]-8-Fluoro-3-Phenyl-3a,4-Dihydro-3h-Pyrazolo[5,1-C][1,4]benzoxazin-2-Yl}ethanone
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| Synonyms |
CHEMBL250125; 1-{(3r,3ar)-3-[3-(4-Acetylpiperazin-1-Yl)propyl]-8-Fluoro-3-Phenyl-3a,4-Dihydro-3h-Pyrazolo[5,1-C][1,4]benzoxazin-2-Yl}ethanone; dihydropyrazolobenzoxazine, 1; SCHEMBL13178355; BDBM24104; Q27463222; 1-[(5R,6R)-5-[3-(4-acetylpiperazin-1-yl)propyl]-12-fluoro-5-phenyl-8-oxa-2,3-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,10,12-tetraen-4-yl]ethan-1-one
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| Structure |
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Download2D MOL |
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| Formula |
C27H31FN4O3
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| Canonical SMILES |
CC(=O)C1=NN2C(C1(CCCN3CCN(CC3)C(=O)C)C4=CC=CC=C4)COC5=C2C=C(C=C5)F
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| InChI |
1S/C27H31FN4O3/c1-19(33)26-27(21-7-4-3-5-8-21,11-6-12-30-13-15-31(16-14-30)20(2)34)25-18-35-24-10-9-22(28)17-23(24)32(25)29-26/h3-5,7-10,17,25H,6,11-16,18H2,1-2H3/t25-,27+/m0/s1
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| InChIKey |
BWKAHABETZLDBG-AHKZPQOWSA-N
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| PubChem Compound ID | ||||
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