
 CHEMBL2071068

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2071068

>  <PubChem CID>
60155918

>  <Formula>
C24H28ClN3O2

>  <Molecular Weight>
425.957000

>  <IUPAC Name>
5-chloro-3-(1-hydroxyethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=C(NC2=C1C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)N4CCCCC4)O

>  <Isomeric SMILES>
CC(C1=C(NC2=C1C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)N4CCCCC4)O

>  <InChI Std. ID>
InChI=1S/C24H28ClN3O2/c1-16(29)22-20-15-18(25)7-10-21(20)27-23(22)24(30)26-12-11-17-5-8-19(9-6-17)28-13-3-2-4-14-28/h5-10,15-16,27,29H,2-4,11-14H2,1H3,(H,26,30)

>  <InChI Key>
AFRWXKHLYPWETA-UHFFFAOYSA-N

