
 CHEMBL445651

 46 49  0  0  0  0  0  0  0  0999 V2000
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    6.4801   -1.5371   -3.3593 O   0  0  0  0  0
    6.7225   -0.2065   -3.4567 C   0  0  0  0  0
    5.5592    0.4946   -3.2004 C   0  0  0  0  0
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    6.8179    2.5463   -3.5512 C   0  0  0  0  0
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    8.1946    8.5338   -3.2428 C   0  0  0  0  0
    7.0409    8.9870   -3.8723 C   0  0  0  0  0
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    6.7845   10.3005   -3.9138 F   0  0  0  0  0
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    5.2696    8.4824   -4.9716 H   0  0  0  0  0
    5.7347    6.0465   -4.9383 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL445651

>  <PubChem CID>
44395786

>  <Formula>
C20H20FN3O2

>  <Molecular Weight>
353.397000

>  <IUPAC Name>
4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1,2-benzoxazol-5-yl]benzamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCC(CC1)C2=NOC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CN1CCC(CC1)C2=NOC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C20H20FN3O2/c1-24-10-8-13(9-11-24)19-17-12-16(6-7-18(17)26-23-19)22-20(25)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,22,25)

>  <InChI Key>
BLXNRVGVWKPHCW-UHFFFAOYSA-N

