
 CHEMBL90746

 66 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL90746

>  <PubChem CID>
10575254

>  <Formula>
C27H33N5O

>  <Molecular Weight>
443.595000

>  <IUPAC Name>
N,N-dimethyl-2-[3-[4-(2-phenylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3C4=CC=CC=C4

>  <Isomeric SMILES>
CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H33N5O/c1-30(2)27(33)24-13-8-15-28-26(24)29-16-9-17-31-18-20-32(21-19-31)25-14-7-6-12-23(25)22-10-4-3-5-11-22/h3-8,10-15H,9,16-21H2,1-2H3,(H,28,29)

>  <InChI Key>
GUKVULLJWDLSGZ-UHFFFAOYSA-N

