
 CHEMBL3770706

 48 53  0  0  0  0  0  0  0  0999 V2000
    0.5821    0.4921    0.0038 C   0  0  0  0  0
    2.0253    0.1535   -0.0042 C   0  0  0  0  0
    2.6952   -1.0540   -0.0500 C   0  0  0  0  0
    4.0546   -0.8800   -0.0557 N   0  0  0  0  0
    4.2355    0.4198   -0.0056 C   0  0  0  0  0
    3.0303    1.1054    0.0246 N   0  0  0  0  0
    2.9406    2.4980    0.0733 C   0  0  0  0  0
    4.0556    3.2692    0.0909 C   0  0  0  0  0
    5.3383    2.5443    0.0545 C   0  0  0  0  0
    5.4192    1.2000    0.0113 C   0  0  0  0  0
    4.0370    4.6744    0.1462 N   0  0  0  0  0
    2.9241    5.3052   -0.4485 C   0  0  0  0  0
    2.7418    6.6359   -0.4666 C   0  0  0  0  0
    3.7431    7.4142    0.1418 C   0  0  0  0  0
    4.8715    6.8806    0.7263 C   0  0  0  0  0
    5.0794    5.4411    0.7632 C   0  0  0  0  0
    6.0690    4.9833    1.3281 O   0  0  0  0  0
    5.6385    7.9673    1.2154 C   0  0  0  0  0
    4.9313    9.1140    0.9052 C   0  0  0  0  0
    3.7783    8.7720    0.2492 O   0  0  0  0  0
    5.1483   10.5433    1.1219 C   0  0  0  0  0
    4.2033   11.4942    0.7013 C   0  0  0  0  0
    4.4132   12.8615    0.9096 C   0  0  0  0  0
    5.5742   13.2931    1.5429 C   0  0  0  0  0
    6.5245   12.3697    1.9694 C   0  0  0  0  0
    6.3115   11.0020    1.7597 C   0  0  0  0  0
    5.8358   14.9734    1.7995 Cl  0  0  0  0  0
    2.0376   -2.4225   -0.0952 C   0  0  0  0  0
    2.7080   -3.5062   -0.9147 C   0  0  0  0  0
    2.7544   -3.5786    0.5724 C   0  0  0  0  0
   -0.0474   -0.4015   -0.0110 H   0  0  0  0  0
    0.3242    1.0916   -0.8754 H   0  0  0  0  0
    0.3238    1.0627    0.9016 H   0  0  0  0  0
    1.9360    2.8906    0.1357 H   0  0  0  0  0
    6.2669    3.1056    0.0265 H   0  0  0  0  0
    6.3753    0.6901   -0.0235 H   0  0  0  0  0
    2.1892    4.6904   -0.9581 H   0  0  0  0  0
    1.8885    7.1076   -0.9384 H   0  0  0  0  0
    6.5855    7.9072    1.7331 H   0  0  0  0  0
    3.2880   11.1783    0.2043 H   0  0  0  0  0
    3.6672   13.5774    0.5749 H   0  0  0  0  0
    7.4326   12.7036    2.4646 H   0  0  0  0  0
    7.0703   10.3025    2.1026 H   0  0  0  0  0
    0.9547   -2.4349   -0.0671 H   0  0  0  0  0
    3.6253   -3.2619   -1.4397 H   0  0  0  0  0
    2.0702   -4.2050   -1.4420 H   0  0  0  0  0
    2.1496   -4.3279    1.0683 H   0  0  0  0  0
    3.7046   -3.3853    1.0589 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 28  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 34  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 20  1  0  0  0
 14 15  2  0  0  0
 15 18  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 40  1  0  0  0
 23 24  2  0  0  0
 23 41  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 42  1  0  0  0
 26 43  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 28 44  1  0  0  0
 29 30  1  0  0  0
 29 45  1  0  0  0
 29 46  1  0  0  0
 30 47  1  0  0  0
 30 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3770706

>  <PubChem CID>
71816518

>  <Formula>
C24H18ClN3O2

>  <Molecular Weight>
415.877000

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

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC4=C(C3=O)C=C(O4)C5=CC=C(C=C5)Cl)C6CC6

>  <Isomeric SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC4=C(C3=O)C=C(O4)C5=CC=C(C=C5)Cl)C6CC6

>  <InChI Std. ID>
InChI=1S/C24H18ClN3O2/c1-14-23(16-2-3-16)26-22-9-8-18(13-28(14)22)27-11-10-20-19(24(27)29)12-21(30-20)15-4-6-17(25)7-5-15/h4-13,16H,2-3H2,1H3

>  <InChI Key>
FBRSISPMXWGFQN-UHFFFAOYSA-N

