
 CHEMBL91951

 63 66  0  0  0  0  0  0  0  0999 V2000
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    2.4446   -1.8537    0.1296 H   0  0  0  0  0
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  1 32  1  0  0  0
  1 33  1  0  0  0
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  3 35  1  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL91951

>  <PubChem CID>
10621397

>  <Formula>
C24H33N5O

>  <Molecular Weight>
407.562000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3C4CC4

>  <Isomeric SMILES>
CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3C4CC4

>  <InChI Std. ID>
InChI=1S/C24H33N5O/c1-27(2)24(30)21-8-5-12-25-23(21)26-13-6-14-28-15-17-29(18-16-28)22-9-4-3-7-20(22)19-10-11-19/h3-5,7-9,12,19H,6,10-11,13-18H2,1-2H3,(H,25,26)

>  <InChI Key>
GZNDCIYNTSNYLJ-UHFFFAOYSA-N

