
 CHEMBL544296

 63 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL544296

>  <PubChem CID>
136094687

>  <Formula>
C26H31N5O

>  <Molecular Weight>
429.568000

>  <IUPAC Name>
N-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-4H-1,4-benzoxazin-3-imine

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CCCCCN=C2COC3=CC=CC=C3N2)C4=NC5=CC=CC=C5C=C4

>  <Isomeric SMILES>
C1CN(CCN1CCCCCN=C2COC3=CC=CC=C3N2)C4=NC5=CC=CC=C5C=C4

>  <InChI Std. ID>
InChI=1S/C26H31N5O/c1(6-14-27-25-20-32-24-11-5-4-10-23(24)28-25)7-15-30-16-18-31(19-17-30)26-13-12-21-8-2-3-9-22(21)29-26/h2-5,8-13H,1,6-7,14-20H2,(H,27,28)

>  <InChI Key>
AJJDVTHYWZXRCC-UHFFFAOYSA-N

