CHEBI:130885 - N-[[(2S,3R,4R)-1-(cyclopropylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-fluoro-N-methylbenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3R,4R)-1-(cyclopropylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-fluoro-N-methylbenzamide
ChEBI ID CHEBI:130885
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H27FN2O2
Net Charge 0
Average Mass 382.472
Monoisotopic Mass 382.20566
InChI InChI=1S/C23H27FN2O2/c1-25(23(28)18-8-5-9-19(24)12-18)14-20-22(17-6-3-2-4-7-17)21(15-27)26(20)13-16-10-11-16/h2-9,12,16,20-22,27H,10-11,13-15H2,1H3/t20-,21+,22-/m1/s1
InChIKey QGIFPCGEAOQIGK-BHIFYINESA-N
SMILES CN(C[C@@H]1[C@H]([C@@H](N1CC2CC2)CO)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F
ChEBI Ontology
Outgoing N-[[(2S,3R,4R)-1-(cyclopropylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-fluoro-N-methylbenzamide (CHEBI:130885) is a azetidines (CHEBI:38777)
N-[[(2S,3R,4R)-1-(cyclopropylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-fluoro-N-methylbenzamide (CHEBI:130885) is a benzenes (CHEBI:22712)
N-[[(2S,3R,4R)-1-(cyclopropylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-fluoro-N-methylbenzamide (CHEBI:130885) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-42434 LINCS
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