
 CHEMBL2315053

 59 63  0  0  0  0  0  0  0  0999 V2000
   -0.4697    2.3089   -2.9349 C   0  0  0  0  0
    0.2416    1.0233   -2.4874 C   0  0  0  0  0
    1.5086    1.5516   -1.7916 C   0  0  0  0  0
    1.8476    2.7694   -2.6552 C   0  0  0  0  0
    0.4788    3.4147   -2.4462 C   0  0  0  0  0
    0.3978    3.4984   -0.9119 C   0  0  0  0  0
    1.1064    2.2048   -0.4471 C   0  0  0  0  0
    2.2710    2.4708    0.3714 N   0  0  0  0  0
    2.2116    3.1290    1.5815 C   0  0  0  0  0
    1.1888    3.6011    2.0644 O   0  0  0  0  0
    3.5384    3.2708    2.2565 C   0  0  0  0  0
    4.5437    2.4944    1.7631 N   0  0  0  0  0
    5.7705    2.6330    2.3224 C   0  0  0  0  0
    6.0152    3.5541    3.3432 C   0  0  0  0  0
    4.9685    4.3391    3.8248 C   0  0  0  0  0
    3.6996    4.1907    3.2806 C   0  0  0  0  0
    6.9074    1.7474    1.8461 C   0  0  0  0  0
    6.5523    0.7498    0.7602 C   0  0  0  0  0
    6.5928    1.1053   -0.6020 C   0  0  0  0  0
    6.2402    0.1623   -1.5735 C   0  0  0  0  0
    5.8410   -1.1243   -1.1990 C   0  0  0  0  0
    5.7891   -1.4714    0.1467 C   0  0  0  0  0
    6.1378   -0.5440    1.1247 C   0  0  0  0  0
    5.2937   -3.0538    0.6033 Cl  0  0  0  0  0
    6.9963    2.3862   -0.8664 O   0  0  0  0  0
    6.9682    2.8258   -2.2228 C   0  0  0  0  0
    7.3697    4.2764   -2.2498 C   0  0  0  0  0
    8.4769    4.6961   -2.9925 C   0  0  0  0  0
    8.8600    6.0326   -3.0355 C   0  0  0  0  0
    8.1209    6.9728   -2.3261 C   0  0  0  0  0
    7.0089    6.5832   -1.5792 C   0  0  0  0  0
    6.6335    5.2378   -1.5403 C   0  0  0  0  0
    8.5808    8.6302   -2.3710 Cl  0  0  0  0  0
    9.1941    3.8011   -3.6875 F   0  0  0  0  0
   -1.4737    2.3951   -2.5079 H   0  0  0  0  0
   -0.5601    2.3288   -4.0272 H   0  0  0  0  0
    0.5023    0.4161   -3.3609 H   0  0  0  0  0
   -0.3825    0.4170   -1.8234 H   0  0  0  0  0
    2.3036    0.8063   -1.7116 H   0  0  0  0  0
    2.0488    2.5153   -3.7005 H   0  0  0  0  0
    2.6736    3.3705   -2.2598 H   0  0  0  0  0
    0.3263    4.3741   -2.9437 H   0  0  0  0  0
    0.9106    4.4000   -0.5583 H   0  0  0  0  0
   -0.6390    3.5372   -0.5599 H   0  0  0  0  0
    0.4315    1.5679    0.1362 H   0  0  0  0  0
    3.1652    2.0273    0.1654 H   0  0  0  0  0
    7.0110    3.6591    3.7673 H   0  0  0  0  0
    5.1435    5.0614    4.6172 H   0  0  0  0  0
    2.8641    4.7896    3.6275 H   0  0  0  0  0
    7.2939    1.1939    2.7132 H   0  0  0  0  0
    7.7378    2.3806    1.5081 H   0  0  0  0  0
    6.2681    0.3901   -2.6340 H   0  0  0  0  0
    5.5724   -1.8488   -1.9636 H   0  0  0  0  0
    6.0817   -0.8229    2.1743 H   0  0  0  0  0
    5.9572    2.7385   -2.6402 H   0  0  0  0  0
    7.6633    2.2247   -2.8205 H   0  0  0  0  0
    9.7266    6.3219   -3.6205 H   0  0  0  0  0
    6.4319    7.3193   -1.0248 H   0  0  0  0  0
    5.7688    4.9375   -0.9493 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 46  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 47  1  0  0  0
 15 16  2  0  0  0
 15 48  1  0  0  0
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 17 18  1  0  0  0
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 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 25  1  0  0  0
 20 21  2  0  0  0
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 21 22  1  0  0  0
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 23 54  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 55  1  0  0  0
 26 56  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 34  1  0  0  0
 29 30  2  0  0  0
 29 57  1  0  0  0
 30 31  1  0  0  0
 30 33  1  0  0  0
 31 32  2  0  0  0
 31 58  1  0  0  0
 32 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2315053

>  <PubChem CID>
71717964

>  <Formula>
C27H25Cl2FN2O2

>  <Molecular Weight>
499.407000

>  <IUPAC Name>
N-(3-bicyclo[2.2.1]heptanyl)-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide

>  <XlogP>
7.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2CC1CC2NC(=O)C3=NC(=CC=C3)CC4=C(C=CC(=C4)Cl)OCC5=C(C=C(C=C5)Cl)F

>  <Isomeric SMILES>
C1CC2CC1CC2NC(=O)C3=NC(=CC=C3)CC4=C(C=CC(=C4)Cl)OCC5=C(C=C(C=C5)Cl)F

>  <InChI Std. ID>
InChI=1S/C27H25Cl2FN2O2/c28-20-8-9-26(34-15-18-6-7-21(29)14-23(18)30)19(12-20)13-22-2-1-3-24(31-22)27(33)32-25-11-16-4-5-17(25)10-16/h1-3,6-9,12,14,16-17,25H,4-5,10-11,13,15H2,(H,32,33)

>  <InChI Key>
AYUGSPUFYVWZLP-UHFFFAOYSA-N

