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(Q76754650)
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English
N-benzyl-6-[(1S,5R)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
484.247440884
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₉H₃₂N₄O₃
0 references
canonical SMILES
COc1cccc(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)NCc3ccccc3)cn2)c1C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=C(C=CC=C1OC)C(=O)NC2C[C@H]3CC[C@@H](C2)N3C4=NC=C(C=C4)C(=O)NCC5=CC=CC=C5
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Identifiers
InChI
InChI=1S/C29H32N4O3/c1-19-25(9-6-10-26(19)36-2)29(35)32-22-15-23-12-13-24(16-22)33(23)27-14-11-21(18-30-27)28(34)31-17-20-7-4-3-5-8-20/h3-11,14,18,22-24H,12-13,15-17H2,1-2H3,(H,31,34)(H,32,35)/t22?,23-,24+
0 references
InChIKey
JXXRMCOYDPMQEY-CWAQXLGLSA-N
0 references
PubChem CID
60147025
0 references
UniChem compound ID
44264931
1 reference
stated in
UniChem
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