
 CHEMBL495875

 56 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL495875

>  <PubChem CID>
25065064

>  <Formula>
C25H24N6O

>  <Molecular Weight>
424.508000

>  <IUPAC Name>
6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1C2=NC=C(C=C2)C(=O)N)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCN1C2=NC=C(C=C2)C(=O)N)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C25H24N6O/c26-24(32)19-10-11-23(27-17-19)30-12-14-31(15-13-30)25-21-9-5-4-8-20(21)22(28-29-25)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H2,26,32)

>  <InChI Key>
BXINLBSXEZUXRW-UHFFFAOYSA-N

