
 CHEMBL3770135

 48 52  0  0  0  0  0  0  0  0999 V2000
    0.5958   -0.1253    0.0461 C   0  0  0  0  0
    2.0481   -0.4007   -0.0743 C   0  0  0  0  0
    2.7696   -1.5741   -0.1722 C   0  0  0  0  0
    4.1164   -1.3351   -0.2732 N   0  0  0  0  0
    4.2376   -0.0268   -0.2329 C   0  0  0  0  0
    3.0048    0.5978   -0.1191 N   0  0  0  0  0
    2.8456    1.9818   -0.0672 C   0  0  0  0  0
    3.9113    2.8110   -0.1231 C   0  0  0  0  0
    5.2305    2.1535   -0.2340 C   0  0  0  0  0
    5.3794    0.8145   -0.2859 C   0  0  0  0  0
    3.8285    4.2143   -0.0767 N   0  0  0  0  0
    2.6185    4.9240    0.0108 C   0  0  0  0  0
    1.4775    4.4623    0.0411 O   0  0  0  0  0
    2.7066    6.3974    0.0780 C   0  0  0  0  0
    3.8747    7.0426    0.0434 C   0  0  0  0  0
    5.0524    6.1655   -0.0729 C   0  0  0  0  0
    5.0501    4.8751   -0.1266 N   0  0  0  0  0
    4.0955    8.3972    0.1039 O   0  0  0  0  0
    2.9413    9.2303    0.2510 C   0  0  0  0  0
    3.2995   10.6989    0.3105 C   0  0  0  0  0
    4.6229   11.1593    0.2672 C   0  0  0  0  0
    4.9011   12.5279    0.3235 C   0  0  0  0  0
    3.8585   13.4456    0.4256 C   0  0  0  0  0
    2.5382   13.0073    0.4741 C   0  0  0  0  0
    2.2602   11.6398    0.4175 C   0  0  0  0  0
    4.2032   15.1297    0.4918 Cl  0  0  0  0  0
    2.1681   -2.9683   -0.1727 C   0  0  0  0  0
    2.8053   -4.0184   -1.0586 C   0  0  0  0  0
    2.9849   -4.0989    0.4179 C   0  0  0  0  0
    0.0050   -1.0446    0.0618 H   0  0  0  0  0
    0.2473    0.4759   -0.8001 H   0  0  0  0  0
    0.3828    0.4202    0.9710 H   0  0  0  0  0
    1.8221    2.3098    0.0191 H   0  0  0  0  0
    6.1199    2.7744   -0.2750 H   0  0  0  0  0
    6.3570    0.3539   -0.3670 H   0  0  0  0  0
    1.7494    6.8939    0.1581 H   0  0  0  0  0
    6.0230    6.6882   -0.1142 H   0  0  0  0  0
    2.4233    8.9704    1.1829 H   0  0  0  0  0
    2.2755    9.0801   -0.6084 H   0  0  0  0  0
    5.4526   10.4606    0.1876 H   0  0  0  0  0
    5.9323   12.8692    0.2867 H   0  0  0  0  0
    1.7231   13.7218    0.5550 H   0  0  0  0  0
    1.2226   11.3123    0.4563 H   0  0  0  0  0
    1.0924   -3.0245   -0.0542 H   0  0  0  0  0
    3.6605   -3.7318   -1.6609 H   0  0  0  0  0
    2.1485   -4.7355   -1.5361 H   0  0  0  0  0
    2.4537   -4.8732    0.9583 H   0  0  0  0  0
    3.9653   -3.8706    0.8217 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 35  1  0  0  0
 11 17  1  0  0  0
 11 12  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 42  1  0  0  0
 25 43  1  0  0  0
 27 29  1  0  0  0
 27 28  1  0  0  0
 27 44  1  0  0  0
 28 29  1  0  0  0
 28 45  1  0  0  0
 28 46  1  0  0  0
 29 47  1  0  0  0
 29 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3770135

>  <PubChem CID>
89690237

>  <Formula>
C22H19ClN4O2

>  <Molecular Weight>
406.870000

>  <IUPAC Name>
5-[(4-chlorophenyl)methoxy]-2-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridazin-3-one

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C(=O)C=C(C=N3)OCC4=CC=C(C=C4)Cl)C5CC5

>  <Isomeric SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C(=O)C=C(C=N3)OCC4=CC=C(C=C4)Cl)C5CC5

>  <InChI Std. ID>
InChI=1S/C22H19ClN4O2/c1-14-22(16-4-5-16)25-20-9-8-18(12-26(14)20)27-21(28)10-19(11-24-27)29-13-15-2-6-17(23)7-3-15/h2-3,6-12,16H,4-5,13H2,1H3

>  <InChI Key>
FJGMABCRRDYEAM-UHFFFAOYSA-N

