CHEBI:127036 - cyclopentyl-[(8S,9R,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyclopentyl-[(8S,9R,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone
ChEBI ID CHEBI:127036
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H37N3O2
Net Charge 0
Average Mass 423.592
Monoisotopic Mass 423.28858
InChI InChI=1S/C26H37N3O2/c1-27(2)15-7-8-20-11-13-21(14-12-20)25-23-18-28(26(31)22-9-3-4-10-22)16-5-6-17-29(23)24(25)19-30/h11-14,22-25,30H,3-6,9-10,15-19H2,1-2H3/t23-,24+,25-/m1/s1
InChIKey RUEQMWBYCIOYOY-DSNGMDLFSA-N
SMILES CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@H]2CO)C(=O)C4CCCC4
ChEBI Ontology
Outgoing cyclopentyl-[(8S,9R,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:127036) is a azetidines (CHEBI:38777)
cyclopentyl-[(8S,9R,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:127036) is a benzenes (CHEBI:22712)
cyclopentyl-[(8S,9R,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:127036) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-38599 LINCS
View more database links