
 CHEMBL433348

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL433348

>  <PubChem CID>
10763212

>  <Formula>
C23H30N4O2

>  <Molecular Weight>
394.519000

>  <IUPAC Name>
cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridin-3-yl]methanone

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCNC3=C(C=CC=N3)C(=O)C4CC4

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCNC3=C(C=CC=N3)C(=O)C4CC4

>  <InChI Std. ID>
InChI=1S/C23H30N4O2/c1-29-21-8-3-2-7-20(21)27-16-14-26(15-17-27)13-5-12-25-23-19(6-4-11-24-23)22(28)18-9-10-18/h2-4,6-8,11,18H,5,9-10,12-17H2,1H3,(H,24,25)

>  <InChI Key>
BYWWVLBZSFTMPL-UHFFFAOYSA-N

