
 CHEMBL499332

 53 57  0  0  0  0  0  0  0  0999 V2000
    1.2545   -0.4130    1.9391 C   0  0  0  0  0
    1.6388    0.0735    0.5520 C   0  0  0  0  0
    2.3904    1.3185    0.5966 N   0  0  0  0  0
    3.7661    1.3996    0.6965 C   0  0  0  0  0
    4.0951    2.7531    0.7550 C   0  0  0  0  0
    5.4546    3.1159    0.9024 C   0  0  0  0  0
    6.4491    2.1257    0.9712 C   0  0  0  0  0
    6.0855    0.7844    0.8847 C   0  0  0  0  0
    4.7460    0.3982    0.7531 C   0  0  0  0  0
    7.7790    2.5523    1.1826 N   0  0  0  0  0
    8.9220    1.7765    1.1276 C   0  0  0  0  0
    9.0107    0.6314    0.6962 O   0  0  0  0  0
   10.1570    2.4810    1.6473 C   0  0  0  0  0
   10.8642    3.2530    0.5453 C   0  0  0  0  0
   10.0911    4.3523    0.0124 N   0  0  0  0  0
   10.0604    4.6334   -1.2980 N   0  0  0  0  0
    9.1217    5.5990   -1.3199 C   0  0  0  0  0
    8.6407    5.8820   -0.0605 N   0  0  0  0  0
    9.2801    5.0907    0.7864 N   0  0  0  0  0
    8.6676    6.2681   -2.5277 C   0  0  0  0  0
    9.3265    6.0542   -3.7504 C   0  0  0  0  0
    8.8970    6.6965   -4.9158 C   0  0  0  0  0
    7.8034    7.5575   -4.8761 C   0  0  0  0  0
    7.1385    7.7754   -3.6719 C   0  0  0  0  0
    7.5707    7.1340   -2.5100 C   0  0  0  0  0
    6.8908    7.3706   -1.3783 F   0  0  0  0  0
    2.8768    3.4960    0.6442 C   0  0  0  0  0
    2.5751    4.8754    0.6154 C   0  0  0  0  0
    1.2441    5.2938    0.5031 C   0  0  0  0  0
    0.2158    4.3614    0.4263 C   0  0  0  0  0
    0.4863    2.9907    0.4546 C   0  0  0  0  0
    1.8266    2.5794    0.5551 C   0  0  0  0  0
    0.7058   -1.3567    1.8721 H   0  0  0  0  0
    0.6178    0.3164    2.4512 H   0  0  0  0  0
    2.1399   -0.5766    2.5617 H   0  0  0  0  0
    0.7475    0.2318   -0.0642 H   0  0  0  0  0
    2.2478   -0.6758    0.0346 H   0  0  0  0  0
    5.7135    4.1688    0.9612 H   0  0  0  0  0
    6.8269   -0.0074    0.9462 H   0  0  0  0  0
    4.4921   -0.6556    0.7081 H   0  0  0  0  0
    7.8944    3.5518    1.3423 H   0  0  0  0  0
   10.8291    1.7148    2.0508 H   0  0  0  0  0
    9.8864    3.1262    2.4921 H   0  0  0  0  0
   11.1153    2.5887   -0.2905 H   0  0  0  0  0
   11.7943    3.6882    0.9265 H   0  0  0  0  0
   10.1826    5.3829   -3.8038 H   0  0  0  0  0
    9.4190    6.5200   -5.8546 H   0  0  0  0  0
    7.4674    8.0558   -5.7825 H   0  0  0  0  0
    6.2808    8.4400   -3.6253 H   0  0  0  0  0
    3.3723    5.6119    0.6763 H   0  0  0  0  0
    1.0159    6.3559    0.4755 H   0  0  0  0  0
   -0.8137    4.7020    0.3438 H   0  0  0  0  0
   -0.3268    2.2741    0.3964 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 24 25  2  0  0  0
 24 49  1  0  0  0
 25 26  1  0  0  0
 27 32  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 28 50  1  0  0  0
 29 30  2  0  0  0
 29 51  1  0  0  0
 30 31  1  0  0  0
 30 52  1  0  0  0
 31 32  2  0  0  0
 31 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL499332

>  <PubChem CID>
25034075

>  <Formula>
C24H21FN6O

>  <Molecular Weight>
428.471000

>  <IUPAC Name>
N-(9-ethylcarbazol-3-yl)-3-[5-(2-fluorophenyl)tetrazol-2-yl]propanamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)CCN3N=C(N=N3)C4=CC=CC=C4F)C5=CC=CC=C51

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)CCN3N=C(N=N3)C4=CC=CC=C4F)C5=CC=CC=C51

>  <InChI Std. ID>
InChI=1S/C24H21FN6O/c1-2-30-21-10-6-4-7-17(21)19-15-16(11-12-22(19)30)26-23(32)13-14-31-28-24(27-29-31)18-8-3-5-9-20(18)25/h3-12,15H,2,13-14H2,1H3,(H,26,32)

>  <InChI Key>
HMRUGQIFAQWKBQ-UHFFFAOYSA-N

