CHEBI:101262 - 1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea
ChEBI ID CHEBI:101262
Stars This entity has been manually annotated by a third party.
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Formula C25H31F3N4O4
Net Charge 0
Average Mass 508.534
Monoisotopic Mass 508.22974
InChI InChI=1S/C25H31F3N4O4/c1-15-12-29-16(2)14-36-21-10-9-19(11-20(21)23(33)32(3)13-22(15)35-4)31-24(34)30-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,29H,12-14H2,1-4H3,(H2,30,31,34)/t15-,16+,22+/m1/s1
InChIKey GXRZKRPKTHFHBM-VVBPWWLESA-N
SMILES C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@@H]1OC)C)C
ChEBI Ontology
Outgoing 1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:101262) is a azamacrocycle (CHEBI:52898)
1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:101262) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-12629 LINCS
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