
 CHEMBL259957

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.1146    0.5971   -1.0007 C   0  0  0  0  0
    1.1657   -0.2103   -0.3855 N   0  0  0  0  0
    1.3087   -1.5199   -1.0566 C   0  0  0  0  0
    1.9424   -1.4862   -2.4718 C   0  0  0  0  0
    3.2312   -0.7652   -2.4520 N   0  0  0  0  0
    3.1396    0.5683   -1.8130 C   0  0  0  0  0
    2.4749    0.4779   -0.4197 C   0  0  0  0  0
    3.8987   -0.7223   -3.7003 C   0  0  0  0  0
    4.2858    0.4903   -4.1768 N   0  0  0  0  0
    4.9580    0.5476   -5.3429 C   0  0  0  0  0
    5.3824    1.7762   -5.8359 C   0  0  0  0  0
    6.0849    1.8755   -7.0381 C   0  0  0  0  0
    6.3630    0.7264   -7.7662 C   0  0  0  0  0
    5.9426   -0.5113   -7.2802 C   0  0  0  0  0
    5.2531   -0.6191   -6.0784 C   0  0  0  0  0
    4.8955   -1.8287   -5.6324 N   0  0  0  0  0
    4.2459   -1.8758   -4.4419 C   0  0  0  0  0
    3.9505   -3.1251   -3.9310 O   0  0  0  0  0
    4.6379   -4.1787   -4.6146 C   0  0  0  0  0
    4.3569   -5.5250   -3.9759 C   0  0  0  0  0
    4.1396   -5.6455   -2.6048 C   0  0  0  0  0
    3.9396   -6.9121   -2.0628 C   0  0  0  0  0
    3.9758   -8.0249   -2.8950 C   0  0  0  0  0
    4.2106   -7.8223   -4.2426 C   0  0  0  0  0
    4.4028   -6.6064   -4.7970 N   0  0  0  0  0
    0.0057    1.5495   -0.4701 H   0  0  0  0  0
   -0.8511    0.0852   -0.9211 H   0  0  0  0  0
    0.2942    0.8169   -2.0578 H   0  0  0  0  0
    0.3350   -2.0237   -1.1024 H   0  0  0  0  0
    1.9363   -2.1527   -0.4141 H   0  0  0  0  0
    2.0567   -2.5278   -2.7817 H   0  0  0  0  0
    1.2526   -1.0073   -3.1784 H   0  0  0  0  0
    4.1430    0.9907   -1.6722 H   0  0  0  0  0
    2.5623    1.2597   -2.4407 H   0  0  0  0  0
    3.1533   -0.0628    0.2536 H   0  0  0  0  0
    2.3791    1.4848    0.0057 H   0  0  0  0  0
    5.1646    2.6752   -5.2647 H   0  0  0  0  0
    6.4130    2.8468   -7.3993 H   0  0  0  0  0
    6.9080    0.7866   -8.7048 H   0  0  0  0  0
    6.1626   -1.4147   -7.8441 H   0  0  0  0  0
    5.7225   -4.0166   -4.5695 H   0  0  0  0  0
    4.3061   -4.2264   -5.6595 H   0  0  0  0  0
    4.1273   -4.7692   -1.9631 H   0  0  0  0  0
    3.7640   -7.0297   -0.9973 H   0  0  0  0  0
    3.8297   -9.0241   -2.5022 H   0  0  0  0  0
    4.2562   -8.6581   -4.9354 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 17  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
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 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
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 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
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 24 25  2  0  0  0
 24 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL259957

>  <PubChem CID>
24854640

>  <Formula>
C19H21N5O

>  <Molecular Weight>
335.411000

>  <IUPAC Name>
2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2OCC4=CC=CC=N4

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2OCC4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)18-19(25-14-15-6-4-5-9-20-15)22-17-8-3-2-7-16(17)21-18/h2-9H,10-14H2,1H3

>  <InChI Key>
AKDNVXCTPRWAGV-UHFFFAOYSA-N

