
 CHEMBL3716474

 61 64  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3716474

>  <PubChem CID>
127024763

>  <Formula>
C25H22Cl2F3N7O2

>  <Molecular Weight>
580.393000

>  <IUPAC Name>
3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-pyrazin-2-ylquinoxalin-2-amine;2,2,2-trifluoroacetic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
C1CN(CCN1CC2=C(C=CC(=C2)Cl)Cl)C3=NC4=CC=CC=C4N=C3NC5=NC=CN=C5.C(=O)(C(F)(F)F)O

>  <Isomeric SMILES>
C1CN(CCN1CC2=C(C=CC(=C2)Cl)Cl)C3=NC4=CC=CC=C4N=C3NC5=NC=CN=C5.C(=O)(C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C23H21Cl2N7.C2HF3O2/c24-17-5-6-18(25)16(13-17)15-31-9-11-32(12-10-31)23-22(30-21-14-26-7-8-27-21)28-19-3-1-2-4-20(19)29-23;3-2(4,5)1(6)7/h1-8,13-14H,9-12,15H2,(H,27,28,30);(H,6,7)

>  <InChI Key>
DKWOSYFTYHUVTO-UHFFFAOYSA-N

