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(Q76855358)
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English
(5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
354.16919056399996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₂N₄O₃
0 references
canonical SMILES
CC1CCc2c(c([nH]n2)C(=O)NC3COc4ccccc4N(C3=O)C)C1
1 reference
stated in
RCSB protein data bank
PDB ligand ID
L4Y
language of work or name
English
retrieved
16 February 2021
isomeric SMILES
C[C@@H]1CCC2=C(C1)C(=NN2)C(=O)N[C@H]3COC4=CC=CC=C4N(C3=O)C
0 references
Identifiers
InChI
InChI=1S/C19H22N4O3/c1-11-7-8-13-12(9-11)17(22-21-13)18(24)20-14-10-26-16-6-4-3-5-15(16)23(2)19(14)25/h3-6,11,14H,7-10H2,1-2H3,(H,20,24)(H,21,22)/t11-,14+/m1/s1
0 references
InChIKey
LOTYATKNTZKNHI-RISCZKNCSA-N
0 references
PubChem CID
124178682
1 reference
matched by identifier from
InChIKey
InChIKey
LOTYATKNTZKNHI-RISCZKNCSA-N
UniChem compound ID
149548615
1 reference
stated in
UniChem
PDB ligand ID
L4Y
0 references
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