
 CHEMBL327351

 61 63  0  0  0  0  0  0  0  0999 V2000
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   -6.2189   -1.2196    0.1872 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL327351

>  <PubChem CID>
10787895

>  <Formula>
C22H31N5O3

>  <Molecular Weight>
413.522000

>  <IUPAC Name>
2-[3-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C22H31N5O3/c1-25(2)22(29)18-6-4-9-23-21(18)24-10-5-11-26-12-14-27(15-13-26)19-8-7-17(28)16-20(19)30-3/h4,6-9,16,28H,5,10-15H2,1-3H3,(H,23,24)

>  <InChI Key>
CYLRLGCCLYSRGB-UHFFFAOYSA-N

