CHEBI:100037 - 1-(3-fluorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

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ChEBI Name 1-(3-fluorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
ChEBI ID CHEBI:100037
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H31FN4O4
Net Charge 0
Average Mass 458.527
Monoisotopic Mass 458.23293
InChI InChI=1S/C24H31FN4O4/c1-15-12-26-16(2)14-33-21-11-19(28-24(31)27-18-7-5-6-17(25)10-18)8-9-20(21)23(30)29(3)13-22(15)32-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16-,22-/m1/s1
InChIKey BTAIGOZCFZRKBT-XCGNWRKASA-N
SMILES C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C
ChEBI Ontology
Outgoing 1-(3-fluorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:100037) is a azamacrocycle (CHEBI:52898)
1-(3-fluorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:100037) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-11416 LINCS
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