
 CHEMBL3798145

 34 37  0  0  0  0  0  0  0  0999 V2000
    1.5405    1.9093   -1.1119 C   0  0  0  0  0
    2.9712    1.7400   -1.0189 N   0  0  0  0  0
    3.6679    0.5551   -0.9907 C   0  0  0  0  0
    5.0081    0.9237   -0.9022 C   0  0  0  0  0
    6.0007   -0.0715   -0.8713 C   0  0  0  0  0
    5.6152   -1.4185   -0.9150 C   0  0  0  0  0
    4.2612   -1.7733   -0.9777 C   0  0  0  0  0
    3.2612   -0.7872   -1.0342 C   0  0  0  0  0
    3.8298   -3.2027   -0.9969 C   0  0  0  0  0
    2.8303   -3.4970   -1.6410 O   0  0  0  0  0
    4.5952   -4.0371   -0.2163 N   0  0  0  0  0
    4.3946   -5.3791   -0.0091 C   0  0  0  0  0
    5.0905   -6.0530    0.8815 N   0  0  0  0  0
    4.6875   -7.3718    0.9639 N   0  0  0  0  0
    3.7277   -7.6392    0.1042 C   0  0  0  0  0
    3.2629   -6.3138   -0.8738 S   0  0  0  0  0
    3.0648   -9.0111    0.0002 C   0  0  0  0  0
    3.8683  -10.2411    0.3729 C   0  0  0  0  0
    2.7934   -9.7644    1.2881 C   0  0  0  0  0
    4.9885    2.3349   -0.8686 C   0  0  0  0  0
    3.7532    2.8351   -0.9278 N   0  0  0  0  0
    1.1070    1.0652   -1.6524 H   0  0  0  0  0
    1.3264    2.8338   -1.6549 H   0  0  0  0  0
    1.1390    1.9624   -0.0972 H   0  0  0  0  0
    7.0520    0.1984   -0.8213 H   0  0  0  0  0
    6.3949   -2.1765   -0.9231 H   0  0  0  0  0
    2.2120   -1.0616   -1.1005 H   0  0  0  0  0
    5.3083   -3.6527    0.3863 H   0  0  0  0  0
    2.3236   -9.1122   -0.7851 H   0  0  0  0  0
    4.8968  -10.1167    0.6954 H   0  0  0  0  0
    3.6920  -11.1511   -0.1884 H   0  0  0  0  0
    1.8775  -10.3413    1.3487 H   0  0  0  0  0
    3.0879   -9.3097    2.2284 H   0  0  0  0  0
    5.8265    3.0164   -0.8001 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4 20  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 27  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 16  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17 29  1  0  0  0
 18 19  1  0  0  0
 18 30  1  0  0  0
 18 31  1  0  0  0
 19 32  1  0  0  0
 19 33  1  0  0  0
 20 21  2  0  0  0
 20 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3798145

>  <PubChem CID>
127047602

>  <Formula>
C14H13N5OS

>  <Molecular Weight>
299.352000

>  <IUPAC Name>
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylindazole-6-carboxamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)C4CC4)C=N1

>  <Isomeric SMILES>
CN1C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)C4CC4)C=N1

>  <InChI Std. ID>
InChI=1S/C14H13N5OS/c1-19-11-6-9(4-5-10(11)7-15-19)12(20)16-14-18-17-13(21-14)8-2-3-8/h4-8H,2-3H2,1H3,(H,16,18,20)

>  <InChI Key>
ASGBLYAYFRYYAE-UHFFFAOYSA-N

