
 CHEMBL91480

 64 66  0  0  0  0  0  0  0  0999 V2000
    1.9377    1.5370    7.8662 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL91480

>  <PubChem CID>
10788615

>  <Formula>
C23H33N5O3

>  <Molecular Weight>
427.549000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C23H33N5O3/c1-26(2)23(29)19-7-5-10-24-22(19)25-11-6-12-27-13-15-28(16-14-27)20-9-8-18(30-3)17-21(20)31-4/h5,7-10,17H,6,11-16H2,1-4H3,(H,24,25)

>  <InChI Key>
IPRRGOQYCLEODJ-UHFFFAOYSA-N

