Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LC6N8Q
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| Ligand Name |
(3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2,2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol
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| Synonyms |
CHEMBL5076397; (3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2,2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol; BDBM50584332; L80
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| Structure |
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Download2D MOL |
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| Formula |
C23H23Cl2F3N6O2
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| Canonical SMILES |
C1CN(CC(C1C2=C(C=C3C=NC(=NC3=C2)NC4=C(N(N=C4)C5CC5(F)F)Cl)Cl)F)C6COCC6O
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| InChI |
1S/C23H23Cl2F3N6O2/c24-14-3-11-6-29-22(32-17-7-30-34(21(17)25)20-5-23(20,27)28)31-16(11)4-13(14)12-1-2-33(8-15(12)26)18-9-36-10-19(18)35/h3-4,6-7,12,15,18-20,35H,1-2,5,8-10H2,(H,29,31,32)/t12-,15+,18+,19-,20+/m0/s1
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| InChIKey |
JCYBYWFFRFKLHB-FYTJDIJESA-N
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| PubChem Compound ID | ||||
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