Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L4WT8F
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| Ligand Name |
(S)-8-(6-tert-butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-6-hydroxy-4-methyl-2-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-4,5,6,7-tetrahydrobenzo[3,4]cyclohepta[1,2-b]pyridin-3-one
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| Synonyms |
CHEMBL4468226; SCHEMBL16014432; BDBM205094; US9556147, 3; (9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one; (S)-8-(6-tert-butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-6-hydroxy-4-methyl-2-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-4,5,6,7-tetrahydrobenzo[3,4]cyclohepta[1,2-b]pyridin-3-one
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| Structure |
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Download2D MOL |
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| Formula |
C37H37FN6O5
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| Canonical SMILES |
CC(C)(C)C1=CC2=C(C(=C1)F)C(=O)N(N=C2)C3=CC=CC4=C3CC(CC5=C4C=C(C(=O)N5C)NC6=NC=C(C=C6)C(=O)N7CCOCC7)O
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| InChI |
1S/C37H37FN6O5/c1-37(2,3)23-14-22-20-40-44(36(48)33(22)28(38)15-23)30-7-5-6-25-26(30)16-24(45)17-31-27(25)18-29(35(47)42(31)4)41-32-9-8-21(19-39-32)34(46)43-10-12-49-13-11-43/h5-9,14-15,18-20,24,45H,10-13,16-17H2,1-4H3,(H,39,41)/t24-/m0/s1
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| InChIKey |
ACFBKRAWAGNCMP-DEOSSOPVSA-N
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| PubChem Compound ID | ||||
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