
 CHEMBL3786738

 39 42  0  0  0  0  0  0  0  0999 V2000
    0.6614   -0.2816    0.4330 C   0  0  0  0  0
    2.1015    0.0567    0.5652 C   0  0  0  0  0
    2.6578    1.3274    0.5967 C   0  0  0  0  0
    4.0229    1.2339    0.6920 O   0  0  0  0  0
    4.3314   -0.0864    0.7472 C   0  0  0  0  0
    3.1918   -0.8508    0.6677 C   0  0  0  0  0
    2.0395    2.6428    0.5379 C   0  0  0  0  0
    0.8273    2.7972    0.6424 O   0  0  0  0  0
    2.9517    3.6614    0.3136 N   0  0  0  0  0
    2.6879    5.0333    0.1478 C   0  0  0  0  0
    1.4462    5.6204    0.3631 C   0  0  0  0  0
    1.2365    7.0011    0.1593 C   0  0  0  0  0
    2.2804    7.8497   -0.2820 C   0  0  0  0  0
    3.5279    7.2251   -0.4754 C   0  0  0  0  0
    3.7325    5.8522   -0.2590 C   0  0  0  0  0
    2.1540    9.2615   -0.5424 N   0  0  0  0  0
    0.9101   10.0089   -0.3870 C   0  0  0  0  0
    1.2626   11.4055   -0.7896 C   0  0  0  0  0
    0.4375   12.4736   -0.8207 N   0  0  0  0  0
    1.0476   13.6138   -1.2364 C   0  0  0  0  0
    2.3969   13.6671   -1.5951 C   0  0  0  0  0
    3.2143   12.5849   -1.5579 N   0  0  0  0  0
    2.5889   11.4673   -1.1433 C   0  0  0  0  0
    3.1763   10.1268   -0.9959 C   0  0  0  0  0
    4.3467    9.8963   -1.2465 O   0  0  0  0  0
   -0.3885    7.4999    0.5093 Cl  0  0  0  0  0
    0.2364    0.1966   -0.4573 H   0  0  0  0  0
    0.1034    0.0599    1.3102 H   0  0  0  0  0
    0.5157   -1.3611    0.3343 H   0  0  0  0  0
    5.3822   -0.3209    0.8375 H   0  0  0  0  0
    3.1495   -1.9315    0.6780 H   0  0  0  0  0
    3.9113    3.3495    0.1892 H   0  0  0  0  0
    0.6069    5.0238    0.7075 H   0  0  0  0  0
    4.4013    7.7773   -0.8088 H   0  0  0  0  0
    4.7260    5.4453   -0.4404 H   0  0  0  0  0
    0.5990   10.0098    0.6611 H   0  0  0  0  0
    0.1491    9.6243   -1.0716 H   0  0  0  0  0
    0.4197   14.4986   -1.2772 H   0  0  0  0  0
    2.8545   14.5945   -1.9242 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  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 16 24  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 38  1  0  0  0
 21 22  1  0  0  0
 21 39  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL3786738

>  <PubChem CID>
127034507

>  <Formula>
C18H13ClN4O3

>  <Molecular Weight>
368.777000

>  <IUPAC Name>
N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)phenyl]-3-methylfuran-2-carboxamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(OC=C1)C(=O)NC2=CC(=C(C=C2)N3CC4=NC=CN=C4C3=O)Cl

>  <Isomeric SMILES>
CC1=C(OC=C1)C(=O)NC2=CC(=C(C=C2)N3CC4=NC=CN=C4C3=O)Cl

>  <InChI Std. ID>
InChI=1S/C18H13ClN4O3/c1-10-4-7-26-16(10)17(24)22-11-2-3-14(12(19)8-11)23-9-13-15(18(23)25)21-6-5-20-13/h2-8H,9H2,1H3,(H,22,24)

>  <InChI Key>
AUZWVLIWYTXJPL-UHFFFAOYSA-N

