
 CHEMBL88664

 57 59  0  0  0  0  0  0  0  0999 V2000
    8.3192   -0.5347    1.1858 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL88664

>  <PubChem CID>
10643699

>  <Formula>
C21H29N5O2

>  <Molecular Weight>
383.496000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3O

>  <Isomeric SMILES>
CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3O

>  <InChI Std. ID>
InChI=1S/C21H29N5O2/c1-24(2)21(28)17-7-5-10-22-20(17)23-11-6-12-25-13-15-26(16-14-25)18-8-3-4-9-19(18)27/h3-5,7-10,27H,6,11-16H2,1-2H3,(H,22,23)

>  <InChI Key>
KWUUDOTZWFVZLU-UHFFFAOYSA-N

