
 CHEMBL499050

 41 44  0  0  0  0  0  0  0  0999 V2000
    4.5080   10.5150   -5.9416 C   0  0  0  0  0
    4.4551    9.7959   -4.7452 C   0  0  0  0  0
    4.2607    8.3949   -4.7321 C   0  0  0  0  0
    4.1282    7.7409   -5.9738 C   0  0  0  0  0
    4.1785    8.4689   -7.1717 C   0  0  0  0  0
    4.3659    9.8430   -7.1439 C   0  0  0  0  0
    4.4100   10.5275   -8.2934 F   0  0  0  0  0
    3.8917    6.0348   -6.1550 Cl  0  0  0  0  0
    4.1882    7.7189   -3.4320 C   0  0  0  0  0
    4.1620    8.3869   -2.2636 N   0  0  0  0  0
    4.0404    7.3928   -1.3006 O   0  0  0  0  0
    4.0129    6.2118   -1.9721 C   0  0  0  0  0
    4.1373    6.3511   -3.2708 N   0  0  0  0  0
    3.8828    4.9759   -1.1652 C   0  0  0  0  0
    4.9267    3.9375   -1.5534 C   0  0  0  0  0
    6.3077    4.4374   -1.1876 C   0  0  0  0  0
    6.6909    4.4011   -0.0230 O   0  0  0  0  0
    7.0085    4.9522   -2.2610 N   0  0  0  0  0
    8.2854    5.5477   -2.2153 C   0  0  0  0  0
    8.9989    5.8313   -1.0607 C   0  0  0  0  0
   10.2313    6.4019   -1.0413 N   0  0  0  0  0
   10.8239    6.7064   -2.1942 C   0  0  0  0  0
   10.1774    6.4571   -3.4230 C   0  0  0  0  0
    8.8940    5.8867   -3.4197 C   0  0  0  0  0
   10.8403    6.7753   -4.6200 C   0  0  0  0  0
   12.1105    7.3238   -4.5662 C   0  0  0  0  0
   12.6665    7.5416   -3.3218 C   0  0  0  0  0
   12.0433    7.2452   -2.1552 N   0  0  0  0  0
   12.9627    7.7123   -6.0016 Cl  0  0  0  0  0
    4.6537   11.5912   -5.9367 H   0  0  0  0  0
    4.5641   10.3491   -3.8120 H   0  0  0  0  0
    4.0682    7.9755   -8.1335 H   0  0  0  0  0
    2.8825    4.5580   -1.3255 H   0  0  0  0  0
    3.9648    5.2139   -0.0979 H   0  0  0  0  0
    4.8728    3.6914   -2.6204 H   0  0  0  0  0
    4.7544    3.0031   -1.0063 H   0  0  0  0  0
    6.5682    4.8921   -3.1734 H   0  0  0  0  0
    8.6112    5.6254   -0.0674 H   0  0  0  0  0
    8.3897    5.6919   -4.3631 H   0  0  0  0  0
   10.3705    6.5867   -5.5816 H   0  0  0  0  0
   13.6583    7.9701   -3.2107 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  9 13  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
 22 28  1  0  0  0
 22 23  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 24 39  1  0  0  0
 25 26  2  0  0  0
 25 40  1  0  0  0
 26 27  1  0  0  0
 26 29  1  0  0  0
 27 28  2  0  0  0
 27 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL499050

>  <PubChem CID>
25034140

>  <Formula>
C19H12Cl2FN5O2

>  <Molecular Weight>
432.236000

>  <IUPAC Name>
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC(=C(C=C1F)Cl)C2=NOC(=N2)CCC(=O)NC3=CN=C4C(=C3)C=C(C=N4)Cl

>  <Isomeric SMILES>
C1=CC(=C(C=C1F)Cl)C2=NOC(=N2)CCC(=O)NC3=CN=C4C(=C3)C=C(C=N4)Cl

>  <InChI Std. ID>
InChI=1S/C19H12Cl2FN5O2/c20-11-5-10-6-13(9-24-18(10)23-8-11)25-16(28)3-4-17-26-19(27-29-17)14-2-1-12(22)7-15(14)21/h1-2,5-9H,3-4H2,(H,25,28)

>  <InChI Key>
GUXZMJXQQKUUOL-UHFFFAOYSA-N

