
 CHEMBL1099034

 56 60  0  0  0  0  0  0  0  0999 V2000
    0.7869    1.6025    3.3414 C   0  0  0  0  0
    0.4826    0.2340    2.7524 C   0  0  0  0  0
    1.8045   -0.1852    2.1335 C   0  0  0  0  0
    2.2972    1.1040    1.4709 C   0  0  0  0  0
    1.8597    2.2146    2.4390 C   0  0  0  0  0
    3.8025    1.1306    1.1890 C   0  0  0  0  0
    4.2052    0.0948    0.2007 C   0  0  0  0  0
    4.2437    0.0952   -1.1759 C   0  0  0  0  0
    4.6524   -1.1224   -1.6532 N   0  0  0  0  0
    4.8755   -1.8667   -0.5918 C   0  0  0  0  0
    4.6386   -1.1568    0.5590 N   0  0  0  0  0
    5.3146   -3.2902   -0.5758 C   0  0  0  0  0
    4.1127   -4.2383   -0.6035 C   0  0  0  0  0
    4.5489   -5.6818   -0.5527 C   0  0  0  0  0
    4.9640   -6.2535    0.6543 C   0  0  0  0  0
    5.4436   -7.5654    0.6875 C   0  0  0  0  0
    5.5111   -8.3474   -0.4779 C   0  0  0  0  0
    5.0540   -7.7765   -1.6759 C   0  0  0  0  0
    4.5926   -6.4558   -1.7168 C   0  0  0  0  0
    6.0350   -9.7291   -0.4202 C   0  0  0  0  0
    5.4051  -10.6377    0.4617 C   0  0  0  0  0
    5.8332  -11.9600    0.5902 C   0  0  0  0  0
    6.9000  -12.4158   -0.1702 C   0  0  0  0  0
    7.5344  -11.5476   -1.0574 C   0  0  0  0  0
    7.1242  -10.2034   -1.1923 C   0  0  0  0  0
    7.8744   -9.3635   -2.1222 C   0  0  0  0  0
    8.3920   -9.8086   -3.2850 N   0  0  0  0  0
    8.9728   -8.6864   -3.7305 N   0  0  0  0  0
    8.8754   -7.6173   -2.9367 N   0  0  0  0  0
    8.1786   -8.0418   -1.8922 N   0  0  0  0  0
   -0.1076    2.2296    3.4045 H   0  0  0  0  0
    1.1845    1.4906    4.3574 H   0  0  0  0  0
   -0.2885    0.3194    1.9777 H   0  0  0  0  0
    0.1313   -0.4754    3.5070 H   0  0  0  0  0
    2.4992   -0.5197    2.9132 H   0  0  0  0  0
    1.6735   -1.0006    1.4156 H   0  0  0  0  0
    1.7493    1.2379    0.5269 H   0  0  0  0  0
    2.6917    2.5863    3.0479 H   0  0  0  0  0
    1.4605    3.0689    1.8810 H   0  0  0  0  0
    4.3661    0.9948    2.1208 H   0  0  0  0  0
    4.0808    2.1187    0.8008 H   0  0  0  0  0
    3.9867    0.9029   -1.8490 H   0  0  0  0  0
    4.7376   -1.5097    1.5008 H   0  0  0  0  0
    5.9300   -3.4739    0.3141 H   0  0  0  0  0
    5.9605   -3.4762   -1.4429 H   0  0  0  0  0
    3.5098   -4.0608   -1.5038 H   0  0  0  0  0
    3.4436   -4.0392    0.2444 H   0  0  0  0  0
    4.9372   -5.6771    1.5761 H   0  0  0  0  0
    5.7852   -7.9720    1.6371 H   0  0  0  0  0
    5.0744   -8.3504   -2.6004 H   0  0  0  0  0
    4.2826   -6.0333   -2.6704 H   0  0  0  0  0
    4.5542  -10.3100    1.0585 H   0  0  0  0  0
    5.3289  -12.6299    1.2816 H   0  0  0  0  0
    7.2411  -13.4433   -0.0765 H   0  0  0  0  0
    8.3722  -11.9220   -1.6448 H   0  0  0  0  0
    9.4642   -8.6475   -4.6185 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 37  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 42  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 13 47  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 48  1  0  0  0
 16 17  2  0  0  0
 16 49  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 50  1  0  0  0
 19 51  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 52  1  0  0  0
 22 23  2  0  0  0
 22 53  1  0  0  0
 23 24  1  0  0  0
 23 54  1  0  0  0
 24 25  2  0  0  0
 24 55  1  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 26 30  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 28 56  1  0  0  0
 29 30  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL1099034

>  <PubChem CID>
46889145

>  <Formula>
C24H26N6

>  <Molecular Weight>
398.514000

>  <IUPAC Name>
5-[2-[4-[2-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]phenyl]-2H-tetrazole

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(C1)CC2=CN=C(N2)CCC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

>  <Isomeric SMILES>
C1CCC(C1)CC2=CN=C(N2)CCC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

>  <InChI Std. ID>
InChI=1S/C24H26N6/c1-2-6-18(5-1)15-20-16-25-23(26-20)14-11-17-9-12-19(13-10-17)21-7-3-4-8-22(21)24-27-29-30-28-24/h3-4,7-10,12-13,16,18H,1-2,5-6,11,14-15H2,(H,25,26)(H,27,28,29,30)

>  <InChI Key>
AVFLPCCKTSYVRA-UHFFFAOYSA-N

