
 CHEMBL3718510

 60 63  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3718510

>  <PubChem CID>
127024391

>  <Formula>
C24H24Cl2F3N5O2

>  <Molecular Weight>
542.384000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1CC1NC2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=C(C=CC(=C5)Cl)Cl.C(=O)(C(F)(F)F)O

>  <Isomeric SMILES>
C1CC1NC2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=C(C=CC(=C5)Cl)Cl.C(=O)(C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C22H23Cl2N5.C2HF3O2/c23-16-5-8-18(24)15(13-16)14-28-9-11-29(12-10-28)22-21(25-17-6-7-17)26-19-3-1-2-4-20(19)27-22;3-2(4,5)1(6)7/h1-5,8,13,17H,6-7,9-12,14H2,(H,25,26);(H,6,7)

>  <InChI Key>
DRLTXCGCWOUXTI-UHFFFAOYSA-N

