
 CHEMBL3956018

 67 70  0  0  0  0  0  0  0  0999 V2000
    4.6671    6.5220  -13.4709 C   0  0  0  0  0
    5.4452    6.6617  -12.1948 C   0  0  0  0  0
    4.8614    6.3441  -10.9585 C   0  0  0  0  0
    5.5864    6.4664   -9.7599 C   0  0  0  0  0
    6.9071    6.9135   -9.8265 C   0  0  0  0  0
    7.5001    7.2321  -11.0471 C   0  0  0  0  0
    6.7718    7.1058  -12.2293 C   0  0  0  0  0
    7.6497    7.0487   -8.7163 F   0  0  0  0  0
    4.9038    6.1052   -8.4777 C   0  0  0  0  0
    3.7339    5.7466   -8.5357 O   0  0  0  0  0
    5.6604    6.2004   -7.3237 N   0  0  0  0  0
    5.2666    5.8987   -6.0029 C   0  0  0  0  0
    3.9923    5.4600   -5.6436 C   0  0  0  0  0
    3.6914    5.1758   -4.3081 C   0  0  0  0  0
    4.6627    5.3267   -3.3197 C   0  0  0  0  0
    5.9489    5.7647   -3.6562 C   0  0  0  0  0
    6.2360    6.0527   -5.0012 C   0  0  0  0  0
    7.0097    5.9502   -2.5910 C   0  0  0  0  0
    7.3156    4.7255   -1.8265 N   0  0  0  0  0
    8.2157    5.0632   -0.7119 C   0  0  0  0  0
    8.4611    3.8498    0.1811 C   0  0  0  0  0
    8.9326    2.6125   -0.5846 C   0  0  0  0  0
    8.1435    2.4016   -1.8785 C   0  0  0  0  0
    7.9437    3.6970   -2.6703 C   0  0  0  0  0
   10.4333    2.6477   -0.8665 C   0  0  0  0  0
   11.0609    3.6814   -1.0618 O   0  0  0  0  0
   11.0038    1.3902   -0.8966 N   0  0  0  0  0
   12.4230    1.1664   -1.1501 C   0  0  0  0  0
   12.9503    0.0167   -0.2800 C   0  0  0  0  0
   12.4460   -1.3540   -0.7320 C   0  0  0  0  0
   12.7171   -1.5958   -2.2132 C   0  0  0  0  0
   12.1634   -0.4711   -3.0832 C   0  0  0  0  0
   12.6794    0.8975   -2.6378 C   0  0  0  0  0
    3.6383    6.1988  -13.2814 H   0  0  0  0  0
    5.1398    5.7780  -14.1200 H   0  0  0  0  0
    4.6249    7.4827  -13.9941 H   0  0  0  0  0
    3.8294    5.9950  -10.9265 H   0  0  0  0  0
    8.5298    7.5766  -11.0695 H   0  0  0  0  0
    7.2426    7.3549  -13.1783 H   0  0  0  0  0
    6.6199    6.5133   -7.4290 H   0  0  0  0  0
    3.2054    5.3274   -6.3788 H   0  0  0  0  0
    2.6943    4.8333   -4.0429 H   0  0  0  0  0
    4.4190    5.0956   -2.2848 H   0  0  0  0  0
    7.2342    6.3962   -5.2624 H   0  0  0  0  0
    6.6240    6.7211   -1.9095 H   0  0  0  0  0
    7.9250    6.3640   -3.0346 H   0  0  0  0  0
    7.7592    5.8435   -0.0900 H   0  0  0  0  0
    9.1660    5.4682   -1.0814 H   0  0  0  0  0
    9.1825    4.1150    0.9634 H   0  0  0  0  0
    7.5223    3.6011    0.6950 H   0  0  0  0  0
    8.7609    1.7458    0.0693 H   0  0  0  0  0
    8.6345    1.6604   -2.5205 H   0  0  0  0  0
    7.1571    1.9908   -1.6242 H   0  0  0  0  0
    8.9016    4.0473   -3.0762 H   0  0  0  0  0
    7.3025    3.4549   -3.5256 H   0  0  0  0  0
   10.3926    0.5852   -0.8585 H   0  0  0  0  0
   12.9581    2.0814   -0.8685 H   0  0  0  0  0
   12.6737    0.1767    0.7691 H   0  0  0  0  0
   14.0472    0.0159   -0.3216 H   0  0  0  0  0
   12.9323   -2.1365   -0.1379 H   0  0  0  0  0
   11.3701   -1.4380   -0.5383 H   0  0  0  0  0
   13.7987   -1.6828   -2.3749 H   0  0  0  0  0
   12.2726   -2.5503   -2.5174 H   0  0  0  0  0
   12.4451   -0.6456   -4.1279 H   0  0  0  0  0
   11.0675   -0.4840   -3.0447 H   0  0  0  0  0
   13.7602    0.9419   -2.8244 H   0  0  0  0  0
   12.2184    1.6786   -3.2538 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 38  1  0  0  0
  7 39  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 14 15  2  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 22 51  1  0  0  0
 23 24  1  0  0  0
 23 52  1  0  0  0
 23 53  1  0  0  0
 24 54  1  0  0  0
 24 55  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 28  1  0  0  0
 27 56  1  0  0  0
 28 33  1  0  0  0
 28 29  1  0  0  0
 28 57  1  0  0  0
 29 30  1  0  0  0
 29 58  1  0  0  0
 29 59  1  0  0  0
 30 31  1  0  0  0
 30 60  1  0  0  0
 30 61  1  0  0  0
 31 32  1  0  0  0
 31 62  1  0  0  0
 31 63  1  0  0  0
 32 33  1  0  0  0
 32 64  1  0  0  0
 32 65  1  0  0  0
 33 66  1  0  0  0
 33 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3956018

>  <PubChem CID>
72705979

>  <Formula>
C27H34FN3O2

>  <Molecular Weight>
451.586000

>  <IUPAC Name>
N-cyclohexyl-1-[[3-[(2-fluoro-5-methylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=C(C=C1)F)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)F)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C27H34FN3O2/c1-19-10-11-25(28)24(16-19)27(33)30-23-9-5-6-20(17-23)18-31-14-12-21(13-15-31)26(32)29-22-7-3-2-4-8-22/h5-6,9-11,16-17,21-22H,2-4,7-8,12-15,18H2,1H3,(H,29,32)(H,30,33)

>  <InChI Key>
DIECZNKEYJZXHK-UHFFFAOYSA-N

