Chemical Compound

CHEMBL5781609

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CHEMBL5781609 chemical structure
Primary Record

CHEMBL5781609

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
86292263
SMILES
C1COCCN1C2=CC3=C(C=C2)C(=NC=N3)C4=CC(=C(C=C4F)Cl)C(C5=NN=CC=C5)O
Canonical SMILES
OC(c1cccnn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl

Names & Synonyms

  • CHEMBL5781609
  • SCHEMBL17602483
  • SCHEMBL29607134
  • BDBM315603
  • US10172859, Example 29
  • US10172859, Example 30
  • US10172859, Example 47
  • [2-Chloro-4-fluoro-5-(7- morpholin-4-yl- quinazolin-4-yl)phenyl]- pyridazin-3-yl methanol (Ena 2)1H NMR (500 MHz, DMSO-d6) ppm = 9.14 (dd, J = 4.9, 1.7, 1H), 9.11 (s, 1H), 7.88 (d, J = 7.7, 1H), 7.80 (dd, J = 8.6, 1.7, 1H), 7.72-7.66 (m, 2H), 7.58 (dd, J = 9.4, 3.3, 1H), 7.53 (dd, J = 9.5, 2.5, 1H), 7.21 (d, J = 2.4, 1H), 6.71 (d, J = 5.0, 1H), 6.32 (d, J = 4.9, 1H), 3.80-3.75 (m, 4H), 3.47-3.43 (m, 4H)