
 CHEMBL3714978

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

>  <Chemical Name>
CHEMBL3714978

>  <PubChem CID>
127024219

>  <Formula>
C24H23BrCl2F3N5O2

>  <Molecular Weight>
621.280000

>  <IUPAC Name>
6-bromo-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=C(C=C(C=C3)Br)N=C2N4CCN(CC4)CC5=C(C=CC(=C5)Cl)Cl.C(=O)(C(F)(F)F)O

>  <Isomeric SMILES>
C1CC1NC2=NC3=C(C=C(C=C3)Br)N=C2N4CCN(CC4)CC5=C(C=CC(=C5)Cl)Cl.C(=O)(C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C22H22BrCl2N5.C2HF3O2/c23-15-1-6-19-20(12-15)28-22(21(27-19)26-17-3-4-17)30-9-7-29(8-10-30)13-14-11-16(24)2-5-18(14)25;3-2(4,5)1(6)7/h1-2,5-6,11-12,17H,3-4,7-10,13H2,(H,26,27);(H,6,7)

>  <InChI Key>
BULNZKNHFCGULS-UHFFFAOYSA-N

