
 CHEMBL357870

 35 38  0  0  0  0  0  0  0  0999 V2000
   -2.0210    1.6186    0.1874 C   0  0  0  0  0
   -3.0489    0.4866    0.1269 C   0  0  0  0  0
   -2.3215   -0.7930    0.0543 N   0  0  0  0  0
   -0.9363   -0.5050    0.0478 C   0  0  0  0  0
   -0.7288    0.8730    0.1146 C   0  0  0  0  0
    0.5421    1.4414    0.1131 C   0  0  0  0  0
    1.6131    0.5429    0.0411 C   0  0  0  0  0
    1.4427   -0.8442   -0.0223 C   0  0  0  0  0
    0.1375   -1.3855   -0.0190 C   0  0  0  0  0
    2.7431   -1.4205   -0.0807 C   0  0  0  0  0
    3.6609   -0.3958   -0.0556 C   0  0  0  0  0
    2.9694    0.7837    0.0171 N   0  0  0  0  0
   -2.8790   -2.0682   -0.0203 C   0  0  0  0  0
   -2.2143   -3.0985   -0.0791 O   0  0  0  0  0
   -4.2656   -2.0696   -0.0264 N   0  0  0  0  0
   -5.1223   -3.1886   -0.1160 C   0  0  0  0  0
   -4.7161   -4.5164   -0.2121 C   0  0  0  0  0
   -5.5711   -5.5707   -0.3005 N   0  0  0  0  0
   -6.8896   -5.2916   -0.2935 C   0  0  0  0  0
   -7.3981   -4.0086   -0.2020 C   0  0  0  0  0
   -6.4996   -2.9465   -0.1121 C   0  0  0  0  0
   -2.1036    2.1766    1.1253 H   0  0  0  0  0
   -2.1365    2.3028   -0.6588 H   0  0  0  0  0
   -3.6900    0.5822   -0.7572 H   0  0  0  0  0
   -3.6892    0.4847    1.0167 H   0  0  0  0  0
    0.6934    2.5132    0.1632 H   0  0  0  0  0
    0.0055   -2.4594   -0.0698 H   0  0  0  0  0
    2.9755   -2.4761   -0.1364 H   0  0  0  0  0
    4.7421   -0.4052   -0.0838 H   0  0  0  0  0
    3.3882    1.7026    0.0485 H   0  0  0  0  0
   -4.7240   -1.1780    0.0367 H   0  0  0  0  0
   -3.6720   -4.8097   -0.2239 H   0  0  0  0  0
   -7.5465   -6.1535   -0.3659 H   0  0  0  0  0
   -8.4687   -3.8383   -0.2012 H   0  0  0  0  0
   -6.8913   -1.9362   -0.0410 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 26  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 33  1  0  0  0
 20 21  2  0  0  0
 20 34  1  0  0  0
 21 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL357870

>  <PubChem CID>
10683987

>  <Formula>
C16H14N4O

>  <Molecular Weight>
278.315000

>  <IUPAC Name>
N-pyridin-3-yl-6,7-dihydro-1H-pyrrolo[2,3-f]indole-5-carboxamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(C2=C1C=C3C(=C2)C=CN3)C(=O)NC4=CN=CC=C4

>  <Isomeric SMILES>
C1CN(C2=C1C=C3C(=C2)C=CN3)C(=O)NC4=CN=CC=C4

>  <InChI Std. ID>
InChI=1S/C16H14N4O/c21-16(19-13-2-1-5-17-10-13)20-7-4-12-8-14-11(3-6-18-14)9-15(12)20/h1-3,5-6,8-10,18H,4,7H2,(H,19,21)

>  <InChI Key>
AZMQHXVJUIAXHL-UHFFFAOYSA-N

