
 CHEMBL123611

 71 74  0  0  0  0  0  0  0  0999 V2000
    1.6604   15.0368   -0.5215 C   0  0  0  0  0
    1.9460   13.5657   -0.3547 C   0  0  0  0  0
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    0.3335   12.1729   -4.5140 H   0  0  0  0  0
    1.3444   13.8630   -3.0469 H   0  0  0  0  0
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    1.1796    7.3122    2.1374 H   0  0  0  0  0
    1.0133    6.2476    4.3250 H   0  0  0  0  0
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   -5.6446    1.2124    1.2821 H   0  0  0  0  0
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   -4.9917    3.4042    5.1295 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL123611

>  <PubChem CID>
9892753

>  <Formula>
C30H33FN4O3

>  <Molecular Weight>
516.617000

>  <IUPAC Name>
3-[(3-acetylphenyl)carbamoylamino]-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-methylbenzamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=CC(=C2CN3CCC(CC3)CC4=CC=C(C=C4)F)C(=O)NC

>  <Isomeric SMILES>
CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=CC(=C2CN3CCC(CC3)CC4=CC=C(C=C4)F)C(=O)NC

>  <InChI Std. ID>
InChI=1S/C30H33FN4O3/c1-20(36)23-5-3-6-25(18-23)33-30(38)34-28-8-4-7-26(29(37)32-2)27(28)19-35-15-13-22(14-16-35)17-21-9-11-24(31)12-10-21/h3-12,18,22H,13-17,19H2,1-2H3,(H,32,37)(H2,33,34,38)

>  <InChI Key>
AYLIGBDQTHFVLJ-UHFFFAOYSA-N

