
 CHEMBL2153438

 52 55  0  0  0  0  0  0  0  0999 V2000
    2.1434   -4.2919    5.9561 C   0  0  0  0  0
    2.7759   -5.0726    4.9940 C   0  0  0  0  0
    3.4828   -4.4648    3.9508 C   0  0  0  0  0
    3.5666   -3.0646    3.8381 C   0  0  0  0  0
    2.9128   -2.3003    4.8223 C   0  0  0  0  0
    2.2132   -2.9051    5.8723 C   0  0  0  0  0
    4.3140   -2.4228    2.7318 C   0  0  0  0  0
    5.0848   -1.2669    2.9434 C   0  0  0  0  0
    5.7926   -0.6576    1.9002 C   0  0  0  0  0
    5.7527   -1.1870    0.6061 C   0  0  0  0  0
    4.9938   -2.3404    0.3794 C   0  0  0  0  0
    4.2857   -2.9442    1.4262 C   0  0  0  0  0
    6.5173   -0.5270   -0.5112 C   0  0  0  0  0
    7.6395   -1.3332   -0.9326 N   0  0  0  0  0
    8.7829   -0.7645   -1.4421 C   0  0  0  0  0
    8.9680    0.4469   -1.4980 O   0  0  0  0  0
    9.7728   -1.7801   -1.9792 C   0  0  0  0  0
   11.2036   -1.2379   -1.9565 C   0  0  0  0  0
   12.2260   -2.2297   -2.5155 C   0  0  0  0  0
   12.1180   -2.3890   -4.0111 C   0  0  0  0  0
   11.3071   -3.3764   -4.4623 N   0  0  0  0  0
   11.1354   -3.5412   -5.7755 C   0  0  0  0  0
   11.7889   -2.7053   -6.7018 C   0  0  0  0  0
   11.5796   -2.9085   -8.0734 C   0  0  0  0  0
   10.7333   -3.9238   -8.4894 C   0  0  0  0  0
   10.1325   -4.6932   -7.5138 C   0  0  0  0  0
   10.3212   -4.5155   -6.1876 N   0  0  0  0  0
   12.6269   -1.6886   -6.2283 C   0  0  0  0  0
   12.7911   -1.5238   -4.8614 C   0  0  0  0  0
    1.5979   -4.7629    6.7695 H   0  0  0  0  0
    2.7258   -6.1567    5.0546 H   0  0  0  0  0
    3.9832   -5.1051    3.2281 H   0  0  0  0  0
    2.9309   -1.2133    4.7760 H   0  0  0  0  0
    1.7213   -2.2894    6.6205 H   0  0  0  0  0
    5.1565   -0.8282    3.9364 H   0  0  0  0  0
    6.3777    0.2355    2.1106 H   0  0  0  0  0
    4.9395   -2.7761   -0.6154 H   0  0  0  0  0
    3.6931   -3.8294    1.2026 H   0  0  0  0  0
    6.8611    0.4696   -0.2122 H   0  0  0  0  0
    5.8611   -0.3906   -1.3786 H   0  0  0  0  0
    7.5037   -2.3305   -1.0277 H   0  0  0  0  0
    9.4583   -2.0149   -3.0015 H   0  0  0  0  0
    9.7166   -2.6992   -1.3851 H   0  0  0  0  0
   11.4713   -1.0113   -0.9165 H   0  0  0  0  0
   11.2600   -0.2887   -2.5040 H   0  0  0  0  0
   12.1068   -3.2087   -2.0352 H   0  0  0  0  0
   13.2384   -1.8888   -2.2657 H   0  0  0  0  0
   12.0695   -2.2797   -8.8120 H   0  0  0  0  0
   10.5463   -4.1094   -9.5407 H   0  0  0  0  0
    9.4576   -5.5034   -7.7759 H   0  0  0  0  0
   13.1427   -1.0233   -6.9152 H   0  0  0  0  0
   13.4247   -0.7334   -4.4723 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 32  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 29  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 28  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 26 27  2  0  0  0
 26 50  1  0  0  0
 28 29  2  0  0  0
 28 51  1  0  0  0
 29 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153438

>  <PubChem CID>
71460331

>  <Formula>
C25H23N3O

>  <Molecular Weight>
381.479000

>  <IUPAC Name>
4-(1,8-naphthyridin-2-yl)-N-[(4-phenylphenyl)methyl]butanamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(=O)CCCC3=NC4=C(C=CC=N4)C=C3

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(=O)CCCC3=NC4=C(C=CC=N4)C=C3

>  <InChI Std. ID>
InChI=1S/C25H23N3O/c29-24(10-4-9-23-16-15-22-8-5-17-26-25(22)28-23)27-18-19-11-13-21(14-12-19)20-6-2-1-3-7-20/h1-3,5-8,11-17H,4,9-10,18H2,(H,27,29)

>  <InChI Key>
SFBYFQOWKAMMMK-UHFFFAOYSA-N

