
 SCHEMBL725615

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M  END

>  <Chemical Name>
SCHEMBL725615

>  <PubChem CID>
54575167

>  <Formula>
C25H31ClN4O2

>  <Molecular Weight>
454.999000

>  <IUPAC Name>
4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CCCN3C=CC4=CC=CC=C43)Cl)N

>  <Isomeric SMILES>
COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CCCN3C=CC4=CC=CC=C43)Cl)N

>  <InChI Std. ID>
InChI=1S/C25H31ClN4O2/c1-32-24-16-22(27)21(26)15-20(24)25(31)28-17-18-7-12-29(13-8-18)10-4-11-30-14-9-19-5-2-3-6-23(19)30/h2-3,5-6,9,14-16,18H,4,7-8,10-13,17,27H2,1H3,(H,28,31)

>  <InChI Key>
BACJEQJZMAJMGA-UHFFFAOYSA-N

