
 CHEMBL210255

 69 73  0  0  0  0  0  0  0  0999 V2000
    0.9610    0.5474    2.8370 C   0  0  0  0  0
    0.2112   -0.6871    2.3833 C   0  0  0  0  0
    0.6854   -0.8414    0.9470 C   0  0  0  0  0
    0.7084    0.5949    0.3807 C   0  0  0  0  0
    0.8874    1.4860    1.6366 C   0  0  0  0  0
    1.7453    0.8264   -0.6421 N   0  0  0  0  0
    1.7809   -0.1609   -1.7276 C   0  0  0  0  0
    0.6427   -0.0273   -2.7430 C   0  0  0  0  0
    0.5552    1.3846   -3.3994 C   0  0  0  0  0
    0.5795    2.4059   -2.2236 C   0  0  0  0  0
    1.7170    2.1766   -1.2247 C   0  0  0  0  0
   -0.7489    1.4842   -4.2451 C   0  0  0  0  0
   -1.1407    0.4423   -5.1030 C   0  0  0  0  0
   -2.2624    0.5628   -5.9380 C   0  0  0  0  0
   -3.0473    1.7229   -5.9461 C   0  0  0  0  0
   -2.6753    2.7531   -5.0684 C   0  0  0  0  0
   -1.5425    2.6416   -4.2492 C   0  0  0  0  0
   -4.2025    1.8771   -6.8627 C   0  0  0  0  0
   -5.3168    1.0055   -6.8187 C   0  0  0  0  0
   -6.4022    1.1542   -7.6962 C   0  0  0  0  0
   -6.4219    2.1854   -8.6275 C   0  0  0  0  0
   -5.3469    3.0642   -8.6919 C   0  0  0  0  0
   -4.2486    2.9071   -7.8338 C   0  0  0  0  0
   -2.9456    4.0311   -8.0640 Cl  0  0  0  0  0
   -5.4446   -0.2822   -5.6635 Cl  0  0  0  0  0
    1.7448    1.5313   -4.3012 N   0  0  0  0  0
    1.8649    2.8648   -4.9283 C   0  0  0  0  0
    2.8918    2.8393   -6.0690 C   0  0  0  0  0
    2.5651    3.1462   -7.2135 O   0  0  0  0  0
    4.1602    2.4809   -5.6506 N   0  0  0  0  0
    5.3482    2.5010   -6.4152 C   0  0  0  0  0
    5.4239    2.9955   -7.7245 C   0  0  0  0  0
    6.6387    2.9892   -8.4121 C   0  0  0  0  0
    7.7867    2.4964   -7.8025 C   0  0  0  0  0
    7.7308    2.0102   -6.4992 C   0  0  0  0  0
    6.5151    2.0158   -5.8086 C   0  0  0  0  0
    8.9619    2.4811   -8.4468 F   0  0  0  0  0
    6.7057    3.6027  -10.0220 Cl  0  0  0  0  0
    0.5375    0.9917    3.7416 H   0  0  0  0  0
    2.0086    0.2943    3.0441 H   0  0  0  0  0
   -0.8719   -0.5163    2.4196 H   0  0  0  0  0
    0.4446   -1.5638    2.9942 H   0  0  0  0  0
    1.6904   -1.2823    0.9523 H   0  0  0  0  0
    0.0287   -1.4998    0.3711 H   0  0  0  0  0
   -0.2855    0.7978   -0.0372 H   0  0  0  0  0
    1.7813    2.1195    1.6097 H   0  0  0  0  0
    0.0237    2.1537    1.7318 H   0  0  0  0  0
    1.7971   -1.1831   -1.3356 H   0  0  0  0  0
    2.7431   -0.0595   -2.2484 H   0  0  0  0  0
    0.7912   -0.8061   -3.5011 H   0  0  0  0  0
   -0.3089   -0.2666   -2.2489 H   0  0  0  0  0
    0.6548    3.4366   -2.5889 H   0  0  0  0  0
   -0.3743    2.3602   -1.6809 H   0  0  0  0  0
    2.6784    2.3582   -1.7227 H   0  0  0  0  0
    1.6606    2.9420   -0.4437 H   0  0  0  0  0
   -0.5715   -0.4833   -5.1611 H   0  0  0  0  0
   -2.5085   -0.2678   -6.5957 H   0  0  0  0  0
   -3.2472    3.6783   -5.0391 H   0  0  0  0  0
   -1.2909    3.5058   -3.6427 H   0  0  0  0  0
   -7.2431    0.4654   -7.6493 H   0  0  0  0  0
   -7.2677    2.3032   -9.2996 H   0  0  0  0  0
   -5.3613    3.8717   -9.4223 H   0  0  0  0  0
    1.6288    0.8515   -5.0568 H   0  0  0  0  0
    2.2035    3.6108   -4.1998 H   0  0  0  0  0
    0.9238    3.2066   -5.3660 H   0  0  0  0  0
    4.2132    2.1185   -4.7032 H   0  0  0  0  0
    4.5518    3.3982   -8.2301 H   0  0  0  0  0
    8.6351    1.6316   -6.0328 H   0  0  0  0  0
    6.4926    1.6319   -4.7912 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  2 41  1  0  0  0
  2 42  1  0  0  0
  3  4  1  0  0  0
  3 43  1  0  0  0
  3 44  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 45  1  0  0  0
  5 46  1  0  0  0
  5 47  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 48  1  0  0  0
  7 49  1  0  0  0
  8  9  1  0  0  0
  8 50  1  0  0  0
  8 51  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 10 52  1  0  0  0
 10 53  1  0  0  0
 11 54  1  0  0  0
 11 55  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 56  1  0  0  0
 14 15  2  0  0  0
 14 57  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 58  1  0  0  0
 17 59  1  0  0  0
 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
 20 60  1  0  0  0
 21 22  1  0  0  0
 21 61  1  0  0  0
 22 23  2  0  0  0
 22 62  1  0  0  0
 23 24  1  0  0  0
 26 27  1  0  0  0
 26 63  1  0  0  0
 27 28  1  0  0  0
 27 64  1  0  0  0
 27 65  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 31  1  0  0  0
 30 66  1  0  0  0
 31 32  2  0  0  0
 31 36  1  0  0  0
 32 33  1  0  0  0
 32 67  1  0  0  0
 33 34  2  0  0  0
 33 38  1  0  0  0
 34 35  1  0  0  0
 34 37  1  0  0  0
 35 36  2  0  0  0
 35 68  1  0  0  0
 36 69  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL210255

>  <PubChem CID>
10239929

>  <Formula>
C30H31Cl3FN3O

>  <Molecular Weight>
574.946000

>  <IUPAC Name>
N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2,6-dichlorophenyl)phenyl]piperidin-4-yl]amino]acetamide

>  <XlogP>
7.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(C1)N2CCC(CC2)(C3=CC=C(C=C3)C4=C(C=CC=C4Cl)Cl)NCC(=O)NC5=CC(=C(C=C5)F)Cl

>  <Isomeric SMILES>
C1CCC(C1)N2CCC(CC2)(C3=CC=C(C=C3)C4=C(C=CC=C4Cl)Cl)NCC(=O)NC5=CC(=C(C=C5)F)Cl

>  <InChI Std. ID>
InChI=1S/C30H31Cl3FN3O/c31-24-6-3-7-25(32)29(24)20-8-10-21(11-9-20)30(14-16-37(17-15-30)23-4-1-2-5-23)35-19-28(38)36-22-12-13-27(34)26(33)18-22/h3,6-13,18,23,35H,1-2,4-5,14-17,19H2,(H,36,38)

>  <InChI Key>
FFJIQQUKMRHXIF-UHFFFAOYSA-N

