
 VU0402483-1

 39 41  0  0  0  0  0  0  0  0999 V2000
    0.5748   -0.3534   -0.4724 C   0  0  0  0  0
    2.0255   -0.4291   -0.0864 C   0  0  0  0  0
    2.6074   -1.6950    0.1021 C   0  0  0  0  0
    3.9439   -1.8073    0.4644 C   0  0  0  0  0
    4.7597   -0.7551    0.6462 N   0  0  0  0  0
    4.1847    0.4490    0.4584 C   0  0  0  0  0
    2.8634    0.7070    0.1015 C   0  0  0  0  0
    2.6597    2.1336   -0.0003 C   0  0  0  0  0
    3.7992    2.8761    0.2667 C   0  0  0  0  0
    5.1153    1.8546    0.6581 S   0  0  0  0  0
    3.9544    4.3275    0.2333 C   0  0  0  0  0
    3.0313    5.0985   -0.0294 O   0  0  0  0  0
    5.2198    4.8022    0.5053 N   0  0  0  0  0
    5.5223    6.2125    0.5721 C   0  0  0  0  0
    6.9662    6.4618    0.2380 C   0  0  0  0  0
    7.8119    7.1025    1.1468 C   0  0  0  0  0
    9.1489    7.3294    0.8338 C   0  0  0  0  0
    9.6685    6.9267   -0.3918 C   0  0  0  0  0
    8.8374    6.2941   -1.3152 C   0  0  0  0  0
    7.4934    6.0663   -1.0042 C   0  0  0  0  0
    9.9518    7.9394    1.7167 F   0  0  0  0  0
    7.3372    7.4995    2.3366 F   0  0  0  0  0
    1.4866    2.7179   -0.3318 N   0  0  0  0  0
    4.5520   -3.1687    0.6422 C   0  0  0  0  0
    0.1278   -1.3485   -0.5690 H   0  0  0  0  0
    0.4673    0.1508   -1.4376 H   0  0  0  0  0
    0.0101    0.1891    0.2921 H   0  0  0  0  0
    2.0135   -2.5954   -0.0342 H   0  0  0  0  0
    5.9095    4.1406    0.8385 H   0  0  0  0  0
    5.2784    6.5428    1.5875 H   0  0  0  0  0
    4.8823    6.7733   -0.1185 H   0  0  0  0  0
   10.7141    7.1095   -0.6190 H   0  0  0  0  0
    9.2335    5.9776   -2.2777 H   0  0  0  0  0
    6.8536    5.5731   -1.7355 H   0  0  0  0  0
    0.6281    2.2231   -0.5352 H   0  0  0  0  0
    1.4050    3.7369   -0.3871 H   0  0  0  0  0
    3.9333   -3.7811    1.3057 H   0  0  0  0  0
    5.5500   -3.0940    1.0866 H   0  0  0  0  0
    4.6435   -3.6672   -0.3277 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 22  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 19 20  2  0  0  0
 19 33  1  0  0  0
 20 34  1  0  0  0
 23 35  1  0  0  0
 23 36  1  0  0  0
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 24 38  1  0  0  0
 24 39  1  0  0  0
M  END

>  <Chemical Name>
VU0402483-1

>  <PubChem CID>
44176134

>  <Formula>
C17H15F2N3OS

>  <Molecular Weight>
347.384000

>  <IUPAC Name>
3-amino-N-[(2,3-difluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=C(C(=CC=C3)F)F)N)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=C(C(=CC=C3)F)F)N)C

>  <InChI Std. ID>
InChI=1S/C17H15F2N3OS/c1-8-6-9(2)22-17-12(8)14(20)15(24-17)16(23)21-7-10-4-3-5-11(18)13(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)

>  <InChI Key>
GRHMMJHPAWJJGH-UHFFFAOYSA-N

