
 CHEMBL1765654

 62 66  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
  1 35  1  0  0  0
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  3 38  1  0  0  0
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  8 26  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1765654

>  <PubChem CID>
53248756

>  <Formula>
C28H28FN3O2

>  <Molecular Weight>
457.549000

>  <IUPAC Name>
6-(4-fluorophenoxy)-2-(2-methylphenyl)-3-[[(3S)-1-methylpiperidin-3-yl]methyl]quinazolin-4-one

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC=C1C2=NC3=C(C=C(C=C3)OC4=CC=C(C=C4)F)C(=O)N2CC5CCCN(C5)C

>  <Isomeric SMILES>
CC1=CC=CC=C1C2=NC3=C(C=C(C=C3)OC4=CC=C(C=C4)F)C(=O)N2C[C@H]5CCCN(C5)C

>  <InChI Std. ID>
InChI=1S/C28H28FN3O2/c1-19-6-3-4-8-24(19)27-30-26-14-13-23(34-22-11-9-21(29)10-12-22)16-25(26)28(33)32(27)18-20-7-5-15-31(2)17-20/h3-4,6,8-14,16,20H,5,7,15,17-18H2,1-2H3/t20-/m0/s1

>  <InChI Key>
ATLUABUPBCVRHD-FQEVSTJZSA-N

