
 CHEMBL418160

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL418160

>  <PubChem CID>
15006462

>  <Formula>
C27H32ClFN4O

>  <Molecular Weight>
483.028000

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

>  <XlogP>
5.1

>  <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)CCCCCN5CCNC5=O

>  <Isomeric SMILES>
C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCCCCN5CCNC5=O

>  <InChI Std. ID>
InChI=1S/C27H32ClFN4O/c28-21-4-9-26-24(18-21)25(19-33(26)23-7-5-22(29)6-8-23)20-10-15-31(16-11-20)13-2-1-3-14-32-17-12-30-27(32)34/h4-9,18-20H,1-3,10-17H2,(H,30,34)

>  <InChI Key>
AFKBRSCMNVQDCS-UHFFFAOYSA-N

