
 CHEMBL145751

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.3711   -1.4349    0.5031 C   0  0  0  0  0
   -1.2552   -0.3909    0.2400 C   0  0  0  0  0
   -0.7635    0.8341   -0.2056 C   0  0  0  0  0
    0.6094    1.0135   -0.3841 C   0  0  0  0  0
    1.5151   -0.0206   -0.1254 C   0  0  0  0  0
    1.0036   -1.2521    0.3200 C   0  0  0  0  0
    2.9513    0.1589   -0.3086 C   0  0  0  0  0
    3.8292   -0.8665   -0.3117 N   0  0  0  0  0
    4.9962   -0.2279   -0.5048 N   0  0  0  0  0
    6.2610   -0.8069   -0.5813 C   0  0  0  0  0
    7.3221    0.1001   -0.7569 C   0  0  0  0  0
    8.6143   -0.4165   -0.8414 C   0  0  0  0  0
    8.8338   -1.7969   -0.7527 C   0  0  0  0  0
    7.7569   -2.6711   -0.5772 C   0  0  0  0  0
    6.4557   -2.1855   -0.4884 C   0  0  0  0  0
    8.0446   -4.3638   -0.4710 Cl  0  0  0  0  0
    7.1347    1.5013   -0.8527 N   0  0  0  0  0
    5.9254    1.9988   -0.7943 C   0  0  0  0  0
    4.8094    1.1110   -0.6021 C   0  0  0  0  0
    3.5362    1.4021   -0.4692 N   0  0  0  0  0
    5.7743    3.3540   -0.9008 N   0  0  0  0  0
    1.0241    2.2108   -0.8258 F   0  0  0  0  0
   -0.7482   -2.3940    0.8507 H   0  0  0  0  0
   -2.3240   -0.5317    0.3796 H   0  0  0  0  0
   -1.4394    1.6564   -0.4199 H   0  0  0  0  0
    1.6770   -2.0814    0.5315 H   0  0  0  0  0
    9.4551    0.2590   -0.9795 H   0  0  0  0  0
    9.8481   -2.1826   -0.8223 H   0  0  0  0  0
    5.6178   -2.8642   -0.3533 H   0  0  0  0  0
    6.6100    3.8834   -0.6872 H   0  0  0  0  0
    4.9097    3.7261   -0.5201 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 26  1  0  0  0
  7 20  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 19  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 29  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 21 30  1  0  0  0
 21 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL145751

>  <PubChem CID>
10267612

>  <Formula>
C15H9ClFN5

>  <Molecular Weight>
313.720000

>  <IUPAC Name>
8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C(=C1)C2=NN3C4=C(C=CC(=C4)Cl)N=C(C3=N2)N)F

>  <Isomeric SMILES>
C1=CC=C(C(=C1)C2=NN3C4=C(C=CC(=C4)Cl)N=C(C3=N2)N)F

>  <InChI Std. ID>
InChI=1S/C15H9ClFN5/c16-8-5-6-11-12(7-8)22-15(13(18)19-11)20-14(21-22)9-3-1-2-4-10(9)17/h1-7H,(H2,18,19)

>  <InChI Key>
CHXBZQXVJCMOFB-UHFFFAOYSA-N

