
 CHEMBL13051

 69 73  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
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 34 35  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL13051

>  <PubChem CID>
15006463

>  <Formula>
C28H34ClFN4O

>  <Molecular Weight>
497.055000

>  <IUPAC Name>
1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one

>  <XlogP>
5.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCCCCCN5CCNC5=O

>  <Isomeric SMILES>
C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCCCCCN5CCNC5=O

>  <InChI Std. ID>
InChI=1S/C28H34ClFN4O/c29-22-5-10-27-25(19-22)26(20-34(27)24-8-6-23(30)7-9-24)21-11-16-32(17-12-21)14-3-1-2-4-15-33-18-13-31-28(33)35/h5-10,19-21H,1-4,11-18H2,(H,31,35)

>  <InChI Key>
ARCMZUUOXKBRHF-UHFFFAOYSA-N

