
 SCHEMBL18211801

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M  END

>  <Chemical Name>
SCHEMBL18211801

>  <PubChem CID>
122675092

>  <Formula>
C27H26FN3O3

>  <Molecular Weight>
459.521000

>  <IUPAC Name>
1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]naphthalene-2-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C=C(C=N1)C2=CC=C(C=C2)CC3=CC(=C(C4=CC=CC=C43)F)C(=O)NC5CCOCC5O

>  <Isomeric SMILES>
CN1C=C(C=N1)C2=CC=C(C=C2)CC3=CC(=C(C4=CC=CC=C43)F)C(=O)N[C@H]5CCOC[C@@H]5O

>  <InChI Std. ID>
InChI=1S/C27H26FN3O3/c1-31-15-20(14-29-31)18-8-6-17(7-9-18)12-19-13-23(26(28)22-5-3-2-4-21(19)22)27(33)30-24-10-11-34-16-25(24)32/h2-9,13-15,24-25,32H,10-12,16H2,1H3,(H,30,33)/t24-,25-/m0/s1

>  <InChI Key>
AEEAFUBVHJXXNM-DQEYMECFSA-N

