
 CHEMBL373000

 47 49  0  0  0  0  0  0  0  0999 V2000
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    1.0788   -0.2224   -2.0813 C   0  0  0  0  0
    0.5263   -1.5872   -2.1188 N   0  0  0  0  0
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    2.7981   -2.4964   -1.5654 C   0  0  0  0  0
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    4.9983   -2.3249    1.0622 C   0  0  0  0  0
    5.3928   -2.6772    2.3279 N   0  0  0  0  0
    4.7399   -1.8724    3.1317 C   0  0  0  0  0
    3.9353   -1.0190    2.4357 N   0  0  0  0  0
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   -3.7589    0.0046   -1.3098 O   0  0  0  0  0
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   -7.4469   -3.8006   -0.7237 C   0  0  0  0  0
   -6.5383   -4.5784   -1.4360 C   0  0  0  0  0
   -5.3445   -4.0122   -1.8897 C   0  0  0  0  0
   -8.2824   -1.5032    0.4103 Cl  0  0  0  0  0
    2.7985   -0.4569   -3.3663 H   0  0  0  0  0
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   -4.6504   -4.6429   -2.4403 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
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  3  4  1  0  0  0
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  6  7  1  0  0  0
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  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 11  2  0  0  0
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 23 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL373000

>  <PubChem CID>
9884637

>  <Formula>
C18H23ClN4O

>  <Molecular Weight>
346.859000

>  <IUPAC Name>
N-(3-chlorophenyl)-3-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]propanamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1CC2=CN=CN2)CCC(=O)NC3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
C1CN(CCC1CC2=CN=CN2)CCC(=O)NC3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C18H23ClN4O/c19-15-2-1-3-16(11-15)22-18(24)6-9-23-7-4-14(5-8-23)10-17-12-20-13-21-17/h1-3,11-14H,4-10H2,(H,20,21)(H,22,24)

>  <InChI Key>
CGHGXIYPAJLYNP-UHFFFAOYSA-N

