Ly-2623091
[5-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1-[(2R)-1-morpholin-4-ylpropan-2-yl]benzimidazol-2-yl]urea
Molecular Identity
Ly-2623091
[5-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1-[(2R)-1-morpholin-4-ylpropan-2-yl]benzimidazol-2-yl]urea
PubChem CID: 42636651
2D Structure
Properties
C30H30FN5O3
Molecular Formula
527.60
Molecular Weight
g/mol
527.2333
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
94.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
885
Complexity
SMILES
Canonical SMILES
SMILES: CC(CN1CCOCC1)N2C3=C(C=C(C=C3)C=C4C5=C(C=C(C=C5)F)OCC6=CC=CC=C64)N=C2NC(=O)NIsomeric SMILES
SMILES: C[C@H](CN1CCOCC1)N2C3=C(C=C(C=C3)/C=C\4/C5=C(C=C(C=C5)F)OCC6=CC=CC=C64)N=C2NC(=O)NSynonyms(20)
1162264-07-4LY2623091LY-2623091(E)-1-(5-((E)-(3-Fluorodibenzo(b,E)oxepin-11(6H)-ylidene)methyl)-1-((R)-1-morpholinopropan-2-yl)-1H-benzo(d)imidazol-2(3H)-ylidene)urea6FHZ595FNMUNII-6FHZ595FNMUrea, N-(5-((E)-(3-fluorodibenz(b,E)oxepin-11(6H)-ylidene)methyl)-1,3-dihydro-1-((1R)-1-methyl-2-(4-morpholinyl)ethyl)-2H-benzimidazol-2-ylidene)-, (N(E))-(5-(((2E)-6-fluoro-9-oxatricyclo(9.4.0.0^(3,8))pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene)methyl)-1-((2R)-1-(morpholin-4-yl)propan-2-yl)-1H-1,3-benzodiazol-2-yl)urea(5-{[(2E)-6-fluoro-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene]methyl}-1-[(2R)-1-(morpholin-4-yl)propan-2-yl]-1H-1,3-benzodiazol-2-yl)ureaRefChem:154543[5-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1-[(2R)-1-morpholin-4-ylpropan-2-yl]benzimidazol-2-yl]ureaCHEMBL40888961-((E)-5-((E)-(3-fluorodibenzo[b,e]oxepin-11(6H)-ylidene)methyl)-1-((R)-1-morpholinopropan-2-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-ylidene)ureaorb2564485SCHEMBL2249210
Data from PubChem (NCBI)
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