
 CHEMBL2153442

 52 55  0  0  0  0  0  0  0  0999 V2000
   -0.5898    3.3982    3.6189 C   0  0  0  0  0
   -1.8555    3.8032    3.2243 C   0  0  0  0  0
   -2.8918    2.8606    3.1606 C   0  0  0  0  0
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   -1.3979    1.1406    3.8713 N   0  0  0  0  0
   -0.4146    2.0649    3.9277 C   0  0  0  0  0
   -3.5862    0.5980    3.4692 N   0  0  0  0  0
   -4.8445    0.9534    3.1107 C   0  0  0  0  0
   -5.1820    2.2482    2.7469 C   0  0  0  0  0
   -4.1897    3.2165    2.7726 C   0  0  0  0  0
   -5.8918   -0.1280    3.1543 C   0  0  0  0  0
   -5.6616   -1.2611    2.1481 C   0  0  0  0  0
   -5.5608   -0.8538    0.6762 C   0  0  0  0  0
   -6.8469   -0.2779    0.1129 C   0  0  0  0  0
   -7.5912    0.4617    0.7504 O   0  0  0  0  0
   -7.0815   -0.6208   -1.1976 N   0  0  0  0  0
   -8.2207   -0.0917   -1.9100 C   0  0  0  0  0
   -8.6417   -1.0006   -3.0343 C   0  0  0  0  0
   -8.7197   -0.5309   -4.3479 C   0  0  0  0  0
   -9.1728   -1.3665   -5.3770 C   0  0  0  0  0
   -9.5542   -2.6980   -5.1332 C   0  0  0  0  0
   -9.4513   -3.1598   -3.8095 C   0  0  0  0  0
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  -10.0495   -4.2921   -8.5596 C   0  0  0  0  0
   -9.5510   -3.4882   -7.5291 C   0  0  0  0  0
  -11.5265   -5.9653   -9.2942 F   0  0  0  0  0
  -12.8403   -6.4434   -6.6677 Cl  0  0  0  0  0
    0.2337    4.0991    3.6853 H   0  0  0  0  0
   -2.0330    4.8455    2.9732 H   0  0  0  0  0
    0.5535    1.6845    4.2423 H   0  0  0  0  0
   -6.1974    2.5014    2.4556 H   0  0  0  0  0
   -4.4318    4.2396    2.4997 H   0  0  0  0  0
   -6.8924    0.3001    3.0391 H   0  0  0  0  0
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   -6.3540   -1.0739   -1.7344 H   0  0  0  0  0
   -7.9294    0.8949   -2.2891 H   0  0  0  0  0
   -9.0647    0.0563   -1.2261 H   0  0  0  0  0
   -8.4483    0.4957   -4.5841 H   0  0  0  0  0
   -9.2482   -0.9451   -6.3779 H   0  0  0  0  0
   -9.7152   -4.1851   -3.5579 H   0  0  0  0  0
   -8.9738   -2.7137   -1.7593 H   0  0  0  0  0
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   -9.6489   -4.2148   -9.5655 H   0  0  0  0  0
   -8.7420   -2.7978   -7.7633 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 10  1  0  0  0
  3  4  2  0  0  0
  4  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
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 18 23  1  0  0  0
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 20 21  2  0  0  0
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 21 24  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 50  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2153442

>  <PubChem CID>
71462028

>  <Formula>
C25H21ClFN3O

>  <Molecular Weight>
433.911000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC2=C(N=C1)N=C(C=C2)CCCC(=O)NCC3=CC=C(C=C3)C4=CC(=C(C=C4)F)Cl

>  <Isomeric SMILES>
C1=CC2=C(N=C1)N=C(C=C2)CCCC(=O)NCC3=CC=C(C=C3)C4=CC(=C(C=C4)F)Cl

>  <InChI Std. ID>
InChI=1S/C25H21ClFN3O/c26-22-15-20(11-13-23(22)27)18-8-6-17(7-9-18)16-29-24(31)5-1-4-21-12-10-19-3-2-14-28-25(19)30-21/h2-3,6-15H,1,4-5,16H2,(H,29,31)

>  <InChI Key>
VDJXCHYCBZSTRL-UHFFFAOYSA-N

