
 CHEMBL562125

 47 50  0  0  0  0  0  0  0  0999 V2000
    7.6468    1.7635    5.9303 C   0  0  0  0  0
    6.9360    2.0923    4.6471 C   0  0  0  0  0
    5.8073    2.8268    4.6475 C   0  0  0  0  0
    5.1743    3.1029    3.4168 C   0  0  0  0  0
    4.0787    3.7632    3.1177 N   0  0  0  0  0
    3.9588    3.6783    1.7500 C   0  0  0  0  0
    5.0153    2.9646    1.2050 C   0  0  0  0  0
    5.7813    2.5933    2.2927 N   0  0  0  0  0
    6.9506    1.8417    2.3613 C   0  0  0  0  0
    7.5286    1.5850    3.5015 N   0  0  0  0  0
    5.3182    2.5883   -0.2012 C   0  0  0  0  0
    6.6494    3.0389   -0.6205 N   0  0  0  0  0
    6.7119    4.5143   -0.7910 C   0  0  0  0  0
    8.0916    5.0093   -1.3003 C   0  0  0  0  0
    8.4829    4.2985   -2.5435 N   0  0  0  0  0
    8.4131    2.8308   -2.3911 C   0  0  0  0  0
    7.0056    2.4098   -1.9155 C   0  0  0  0  0
    9.6648    4.8146   -3.1021 C   0  0  0  0  0
   10.9207    4.2068   -2.9633 C   0  0  0  0  0
   12.0660    4.7596   -3.5524 C   0  0  0  0  0
   11.9701    5.9366   -4.2975 C   0  0  0  0  0
   10.7305    6.5589   -4.4417 C   0  0  0  0  0
    9.5940    6.0033   -3.8440 C   0  0  0  0  0
   13.3356    6.6674   -5.0611 Cl  0  0  0  0  0
   13.5668    3.9345   -3.3142 Cl  0  0  0  0  0
    2.8033    4.3046    1.0667 C   0  0  0  0  0
    8.6688    2.1561    5.9093 H   0  0  0  0  0
    7.6946    0.6788    6.0698 H   0  0  0  0  0
    7.1422    2.1912    6.8036 H   0  0  0  0  0
    5.3612    3.2111    5.5572 H   0  0  0  0  0
    7.3911    1.4524    1.4322 H   0  0  0  0  0
    4.5441    2.9686   -0.8797 H   0  0  0  0  0
    5.2648    1.4922   -0.2560 H   0  0  0  0  0
    6.5165    5.0117    0.1664 H   0  0  0  0  0
    5.9375    4.8446   -1.4962 H   0  0  0  0  0
    8.0219    6.0896   -1.4777 H   0  0  0  0  0
    8.8478    4.8436   -0.5215 H   0  0  0  0  0
    8.6173    2.3449   -3.3531 H   0  0  0  0  0
    9.1475    2.4732   -1.6581 H   0  0  0  0  0
    6.2679    2.6714   -2.6853 H   0  0  0  0  0
    7.0001    1.3182   -1.8081 H   0  0  0  0  0
   11.0324    3.2998   -2.3773 H   0  0  0  0  0
   10.6362    7.4725   -5.0223 H   0  0  0  0  0
    8.6316    6.4924   -3.9813 H   0  0  0  0  0
    2.4120    3.6499    0.2822 H   0  0  0  0  0
    3.1014    5.2541    0.6122 H   0  0  0  0  0
    1.9925    4.5007    1.7750 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 44  1  0  0  0
 26 45  1  0  0  0
 26 46  1  0  0  0
 26 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL562125

>  <PubChem CID>
45268246

>  <Formula>
C19H21Cl2N5

>  <Molecular Weight>
390.312000

>  <IUPAC Name>
3-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-2,7-dimethylimidazo[1,2-c]pyrimidine

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC2=NC(=C(N2C=N1)CN3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl)C

>  <Isomeric SMILES>
CC1=CC2=NC(=C(N2C=N1)CN3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl)C

>  <InChI Std. ID>
InChI=1S/C19H21Cl2N5/c1-13-9-19-23-14(2)18(26(19)12-22-13)11-24-5-7-25(8-6-24)15-3-4-16(20)17(21)10-15/h3-4,9-10,12H,5-8,11H2,1-2H3

>  <InChI Key>
GPXJIGDKDCIDEO-UHFFFAOYSA-N

