
 CHEMBL416662

 51 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL416662

>  <PubChem CID>
19978059

>  <Formula>
C23H21ClN4O2

>  <Molecular Weight>
420.897000

>  <IUPAC Name>
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-chloropyrrolo[1,2-a]quinoxaline

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=C(C=CC(=C5)Cl)N6C4=CC=C6

>  <Isomeric SMILES>
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=C(C=CC(=C5)Cl)N6C4=CC=C6

>  <InChI Std. ID>
InChI=1S/C23H21ClN4O2/c24-17-4-5-19-18(13-17)25-23(20-2-1-7-28(19)20)27-10-8-26(9-11-27)14-16-3-6-21-22(12-16)30-15-29-21/h1-7,12-13H,8-11,14-15H2

>  <InChI Key>
KDCOAGQKBBVYDB-UHFFFAOYSA-N

