
 CHEMBL378680

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.7260    1.0156   -0.3594 C   0  0  0  0  0
   -0.8218    1.0791   -0.2878 C   0  0  0  0  0
   -1.4488   -0.1206   -0.8947 N   0  0  0  0  0
   -0.8529   -1.4007   -0.4446 C   0  0  0  0  0
    0.6859   -1.3620   -0.5775 C   0  0  0  0  0
    1.3422   -0.2377    0.1393 N   0  0  0  0  0
    1.1886   -0.3308    1.6058 C   0  0  0  0  0
    1.8366   -1.5668    2.1471 C   0  0  0  0  0
    3.1630   -1.7874    2.4616 C   0  0  0  0  0
    3.2290   -3.0793    2.9116 N   0  0  0  0  0
    4.3288   -3.8083    3.3579 C   0  0  0  0  0
    4.1536   -5.0805    3.7550 C   0  0  0  0  0
    2.8170   -5.6565    3.7022 C   0  0  0  0  0
    1.7576   -4.9426    3.2711 C   0  0  0  0  0
    1.9379   -3.5933    2.8542 C   0  0  0  0  0
    1.0837   -2.6976    2.4056 N   0  0  0  0  0
   -2.8513   -0.0357   -0.9211 C   0  0  0  0  0
   -3.6938   -0.8229   -0.1236 C   0  0  0  0  0
   -5.0876   -0.6775   -0.1710 C   0  0  0  0  0
   -5.6656    0.2546   -1.0347 C   0  0  0  0  0
   -4.8464    1.0359   -1.8475 C   0  0  0  0  0
   -3.4570    0.8900   -1.7867 C   0  0  0  0  0
   -7.3726    0.4900   -1.1434 Cl  0  0  0  0  0
   -6.0336   -1.6764    0.8774 Cl  0  0  0  0  0
    1.0287    1.1416   -1.4078 H   0  0  0  0  0
    1.1504    1.8769    0.1717 H   0  0  0  0  0
   -1.1382    1.9889   -0.8121 H   0  0  0  0  0
   -1.1419    1.1769    0.7572 H   0  0  0  0  0
   -1.1191   -1.6177    0.5955 H   0  0  0  0  0
   -1.2320   -2.2190   -1.0692 H   0  0  0  0  0
    1.1095   -2.3246   -0.2713 H   0  0  0  0  0
    0.9420   -1.2715   -1.6424 H   0  0  0  0  0
    0.1413   -0.3076    1.9270 H   0  0  0  0  0
    1.6765    0.5349    2.0723 H   0  0  0  0  0
    4.0340   -1.1531    2.3926 H   0  0  0  0  0
    5.2892   -3.3093    3.3657 H   0  0  0  0  0
    4.9763   -5.6908    4.1116 H   0  0  0  0  0
    2.6959   -6.6870    4.0219 H   0  0  0  0  0
    0.7623   -5.3688    3.2302 H   0  0  0  0  0
   -3.2793   -1.5465    0.5718 H   0  0  0  0  0
   -5.2776    1.7594   -2.5345 H   0  0  0  0  0
   -2.8362    1.4955   -2.4442 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL378680

>  <PubChem CID>
11516033

>  <Formula>
C18H18Cl2N4

>  <Molecular Weight>
361.270000

>  <IUPAC Name>
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CC2=CN3C=CC=CC3=N2)C4=CC(=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCN1CC2=CN3C=CC=CC3=N2)C4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C18H18Cl2N4/c19-16-5-4-15(11-17(16)20)23-9-7-22(8-10-23)12-14-13-24-6-2-1-3-18(24)21-14/h1-6,11,13H,7-10,12H2

>  <InChI Key>
CVPLGARGNFQLNC-UHFFFAOYSA-N

