
 CHEMBL2153448

 56 59  0  0  0  0  0  0  0  0999 V2000
    5.1952    1.8791    8.3673 C   0  0  0  0  0
    5.0554    1.2848    7.1100 C   0  0  0  0  0
    4.1049    1.7506    6.1890 C   0  0  0  0  0
    3.3104    2.8452    6.5805 C   0  0  0  0  0
    3.4487    3.4561    7.8352 C   0  0  0  0  0
    4.3890    2.9579    8.7332 C   0  0  0  0  0
    2.6088    4.5132    8.0433 O   0  0  0  0  0
    2.8059    5.2929    9.2101 C   0  0  0  0  0
    1.9873    6.3677    9.1549 F   0  0  0  0  0
    2.4978    4.5883   10.3198 F   0  0  0  0  0
    4.0764    5.7414    9.2986 F   0  0  0  0  0
    3.9394    1.1182    4.8619 C   0  0  0  0  0
    2.6629    0.8801    4.3267 C   0  0  0  0  0
    2.4967    0.2976    3.0651 C   0  0  0  0  0
    3.6035   -0.0795    2.2987 C   0  0  0  0  0
    4.8819    0.1447    2.8219 C   0  0  0  0  0
    5.0451    0.7354    4.0830 C   0  0  0  0  0
    3.4112   -0.6630    0.9233 C   0  0  0  0  0
    4.0165   -1.9674    0.7832 N   0  0  0  0  0
    4.0633   -2.5523   -0.4607 C   0  0  0  0  0
    3.6909   -1.9808   -1.4840 O   0  0  0  0  0
    4.7253   -3.9166   -0.5292 C   0  0  0  0  0
    4.2519   -4.9782    0.4605 C   0  0  0  0  0
    2.8526   -5.5260    0.1635 C   0  0  0  0  0
    1.7287   -4.5708    0.4720 C   0  0  0  0  0
    1.6857   -4.0633    1.7288 N   0  0  0  0  0
    0.6623   -3.2816    2.0878 C   0  0  0  0  0
   -0.3617   -2.9633    1.1782 C   0  0  0  0  0
   -1.4250   -2.1505    1.5988 C   0  0  0  0  0
   -1.4478   -1.6817    2.9027 C   0  0  0  0  0
   -0.4011   -2.0400    3.7270 C   0  0  0  0  0
    0.6374   -2.8139    3.3375 N   0  0  0  0  0
   -0.2983   -3.4732   -0.1231 C   0  0  0  0  0
    0.7599   -4.2959   -0.4803 C   0  0  0  0  0
    5.9352    1.4948    9.0657 H   0  0  0  0  0
    5.6905    0.4364    6.8625 H   0  0  0  0  0
    2.5744    3.2503    5.8876 H   0  0  0  0  0
    4.5278    3.3789    9.7248 H   0  0  0  0  0
    1.7724    1.1396    4.8948 H   0  0  0  0  0
    1.4901    0.1384    2.6864 H   0  0  0  0  0
    5.7626   -0.1298    2.2445 H   0  0  0  0  0
    6.0567    0.9105    4.4437 H   0  0  0  0  0
    3.8401    0.0164    0.1767 H   0  0  0  0  0
    2.3459   -0.7703    0.6872 H   0  0  0  0  0
    3.9265   -2.5806    1.5857 H   0  0  0  0  0
    5.8007   -3.7507   -0.3902 H   0  0  0  0  0
    4.5981   -4.2963   -1.5512 H   0  0  0  0  0
    4.3220   -4.6212    1.4930 H   0  0  0  0  0
    4.9509   -5.8220    0.3862 H   0  0  0  0  0
    2.6901   -6.4222    0.7760 H   0  0  0  0  0
    2.8025   -5.8563   -0.8812 H   0  0  0  0  0
   -2.2335   -1.8935    0.9196 H   0  0  0  0  0
   -2.2576   -1.0592    3.2658 H   0  0  0  0  0
   -0.3584   -1.7033    4.7594 H   0  0  0  0  0
   -1.0699   -3.2458   -0.8534 H   0  0  0  0  0
    0.8161   -4.7138   -1.4804 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  8 11  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
 25 34  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 33  1  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 52  1  0  0  0
 30 31  1  0  0  0
 30 53  1  0  0  0
 31 32  2  0  0  0
 31 54  1  0  0  0
 33 34  2  0  0  0
 33 55  1  0  0  0
 34 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153448

>  <PubChem CID>
71454858

>  <Formula>
C26H22F3N3O2

>  <Molecular Weight>
465.476000

>  <IUPAC Name>
4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C26H22F3N3O2/c27-26(28,29)34-23-7-1-4-21(16-23)19-11-9-18(10-12-19)17-31-24(33)8-2-6-22-14-13-20-5-3-15-30-25(20)32-22/h1,3-5,7,9-16H,2,6,8,17H2,(H,31,33)

>  <InChI Key>
IYJBGUHBYDUPEB-UHFFFAOYSA-N

