
 CHEMBL2153586

 50 54  0  0  0  0  0  0  0  0999 V2000
   -0.9396    0.6281    0.3477 C   0  0  0  0  0
    0.3591    0.7378   -0.1605 C   0  0  0  0  0
    1.4646    0.1756    0.5081 C   0  0  0  0  0
    1.2104   -0.5107    1.7094 C   0  0  0  0  0
   -0.0888   -0.6292    2.2099 C   0  0  0  0  0
   -1.1645   -0.0598    1.5358 C   0  0  0  0  0
   -0.3631   -1.4898    3.6759 Cl  0  0  0  0  0
    2.8361    0.3000   -0.0375 C   0  0  0  0  0
    3.7634   -0.7529    0.0504 C   0  0  0  0  0
    5.0551   -0.6409   -0.4849 C   0  0  0  0  0
    5.4603    0.5298   -1.1362 C   0  0  0  0  0
    4.5476    1.5871   -1.2243 C   0  0  0  0  0
    3.2624    1.4757   -0.6789 C   0  0  0  0  0
    6.7800    0.6663   -1.7352 C   0  0  0  0  0
    7.2821    1.6356   -2.4769 N   0  0  0  0  0
    8.5630    1.2486   -2.8186 N   0  0  0  0  0
    8.7512    0.0758   -2.2538 C   0  0  0  0  0
    7.6712   -0.3540   -1.5383 O   0  0  0  0  0
    9.9283   -0.8177   -2.3044 C   0  0  0  0  0
    9.9061   -1.7464   -3.5222 C   0  0  0  0  0
    8.7766   -2.7866   -3.5232 C   0  0  0  0  0
    8.7992   -3.7190   -2.3377 C   0  0  0  0  0
    7.7509   -3.6379   -1.4834 N   0  0  0  0  0
    7.7052   -4.4290   -0.4092 C   0  0  0  0  0
    8.7462   -5.3384   -0.1389 C   0  0  0  0  0
    8.6686   -6.1481    1.0032 C   0  0  0  0  0
    7.5654   -6.0448    1.8360 C   0  0  0  0  0
    6.5888   -5.1318    1.4919 C   0  0  0  0  0
    6.6491   -4.3343    0.4021 N   0  0  0  0  0
    9.8307   -5.4128   -1.0208 C   0  0  0  0  0
    9.8554   -4.5968   -2.1415 C   0  0  0  0  0
   -1.7717    1.0750   -0.1901 H   0  0  0  0  0
    0.4966    1.2620   -1.1044 H   0  0  0  0  0
    2.0304   -0.9515    2.2710 H   0  0  0  0  0
   -2.1741   -0.1500    1.9272 H   0  0  0  0  0
    3.4904   -1.6968    0.5197 H   0  0  0  0  0
    5.7306   -1.4939   -0.4006 H   0  0  0  0  0
    4.8302    2.5122   -1.7248 H   0  0  0  0  0
    2.5971    2.3325   -0.7619 H   0  0  0  0  0
   10.0103   -1.3915   -1.3748 H   0  0  0  0  0
   10.8298   -0.1951   -2.3600 H   0  0  0  0  0
   10.8736   -2.2604   -3.5800 H   0  0  0  0  0
    9.8216   -1.1469   -4.4378 H   0  0  0  0  0
    8.8470   -3.3912   -4.4360 H   0  0  0  0  0
    7.8043   -2.2818   -3.5733 H   0  0  0  0  0
    9.4576   -6.8566    1.2413 H   0  0  0  0  0
    7.4677   -6.6579    2.7248 H   0  0  0  0  0
    5.6979   -5.0087    2.1017 H   0  0  0  0  0
   10.6495   -6.1042   -0.8419 H   0  0  0  0  0
   10.6836   -4.6473   -2.8409 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 35  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 11  2  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 39  1  0  0  0
 14 18  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
 22 31  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 30  1  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 26 46  1  0  0  0
 27 28  1  0  0  0
 27 47  1  0  0  0
 28 29  2  0  0  0
 28 48  1  0  0  0
 30 31  2  0  0  0
 30 49  1  0  0  0
 31 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153586

>  <PubChem CID>
71456641

>  <Formula>
C25H19ClN4O

>  <Molecular Weight>
426.904000

>  <IUPAC Name>
2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC(=CC(=C1)Cl)C2=CC=C(C=C2)C3=NN=C(O3)CCCC4=NC5=C(C=CC=N5)C=C4

>  <Isomeric SMILES>
C1=CC(=CC(=C1)Cl)C2=CC=C(C=C2)C3=NN=C(O3)CCCC4=NC5=C(C=CC=N5)C=C4

>  <InChI Std. ID>
InChI=1S/C25H19ClN4O/c26-21-6-1-4-20(16-21)17-9-11-19(12-10-17)25-30-29-23(31-25)8-2-7-22-14-13-18-5-3-15-27-24(18)28-22/h1,3-6,9-16H,2,7-8H2

>  <InChI Key>
ARQMZUQHYGRGKL-UHFFFAOYSA-N

