
 CHEMBL471242

 35 38  0  0  0  0  0  0  0  0999 V2000
   -1.0458   -1.7875   -0.7528 C   0  0  0  0  0
   -2.1072   -0.7870   -0.2292 C   0  0  0  0  0
   -2.0213    0.4436   -1.1671 C   0  0  0  0  0
   -0.5941    0.3860   -1.6304 C   0  0  0  0  0
    0.1401    1.3758   -2.2614 C   0  0  0  0  0
    1.4521    1.0854   -2.6442 C   0  0  0  0  0
    2.0043   -0.1829   -2.4048 C   0  0  0  0  0
    1.2522   -1.1789   -1.7800 C   0  0  0  0  0
   -0.0427   -0.8771   -1.3935 C   0  0  0  0  0
   -1.7699   -0.4242    1.1630 N   0  0  0  0  0
   -2.8059    0.1124    1.9517 C   0  0  0  0  0
   -4.0387    0.2008    1.4231 N   0  0  0  0  0
   -5.0039    0.6665    2.2225 C   0  0  0  0  0
   -4.8645    1.0564    3.4936 N   0  0  0  0  0
   -3.6391    0.9568    4.0154 C   0  0  0  0  0
   -3.4488    1.3352    5.3395 C   0  0  0  0  0
   -2.1998    1.2543    5.9612 C   0  0  0  0  0
   -1.1076    0.7787    5.2499 C   0  0  0  0  0
   -1.2738    0.3890    3.9225 C   0  0  0  0  0
   -2.5395    0.4798    3.2869 C   0  0  0  0  0
   -0.6040   -2.3893    0.0474 H   0  0  0  0  0
   -1.4771   -2.4431   -1.5172 H   0  0  0  0  0
   -3.0926   -1.2661   -0.2705 H   0  0  0  0  0
   -2.2454    1.3866   -0.6598 H   0  0  0  0  0
   -2.6848    0.3184   -2.0297 H   0  0  0  0  0
   -0.2884    2.3530   -2.4604 H   0  0  0  0  0
    2.0509    1.8455   -3.1404 H   0  0  0  0  0
    3.0244   -0.3935   -2.7169 H   0  0  0  0  0
    1.6741   -2.1638   -1.6067 H   0  0  0  0  0
   -0.9529    0.1814    1.1999 H   0  0  0  0  0
   -5.9999    0.7326    1.7985 H   0  0  0  0  0
   -4.3016    1.7007    5.9076 H   0  0  0  0  0
   -2.0895    1.5577    6.9990 H   0  0  0  0  0
   -0.1326    0.7043    5.7244 H   0  0  0  0  0
   -0.4143    0.0004    3.3814 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 20  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL471242

>  <PubChem CID>
23186964

>  <Formula>
C17H15N3

>  <Molecular Weight>
261.328000

>  <IUPAC Name>
N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine

>  <XlogP>
4.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C(CC2=CC=CC=C21)NC3=NC=NC4=CC=CC=C43

>  <Isomeric SMILES>
C1C(CC2=CC=CC=C21)NC3=NC=NC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C17H15N3/c1-2-6-13-10-14(9-12(13)5-1)20-17-15-7-3-4-8-16(15)18-11-19-17/h1-8,11,14H,9-10H2,(H,18,19,20)

>  <InChI Key>
CLVFUKGYGOFREN-UHFFFAOYSA-N

