
 CHEMBL294865

102103  0  0  0  0  0  0  0  0999 V2000
   12.8106   -6.9384  -11.1292 C   0  0  0  0  0
   11.4473   -6.7950  -10.7512 O   0  0  0  0  0
   10.7157   -5.8723  -11.4535 C   0  0  0  0  0
   11.0328   -5.4471  -12.7492 C   0  0  0  0  0
   10.2241   -4.5195  -13.4107 C   0  0  0  0  0
    9.0850   -4.0186  -12.7900 C   0  0  0  0  0
    8.7524   -4.4474  -11.5065 C   0  0  0  0  0
    9.5628   -5.3716  -10.8214 C   0  0  0  0  0
    9.1520   -5.8065   -9.4320 C   0  0  0  0  0
    8.1118   -6.8350   -9.4949 N   0  0  0  0  0
    7.6419   -7.1892   -8.1579 C   0  0  0  0  0
    6.6331   -8.3363   -8.2525 C   0  0  0  0  0
    6.0730   -8.6943   -6.8747 C   0  0  0  0  0
    5.0935   -9.8667   -6.9572 C   0  0  0  0  0
    4.5276  -10.2070   -5.5813 C   0  0  0  0  0
    3.5623  -11.3850   -5.6341 C   0  0  0  0  0
    3.0863  -11.6104   -4.3102 O   0  0  0  0  0
    2.1506  -12.6822   -4.2419 C   0  0  0  0  0
    1.7570  -12.8986   -2.7825 C   0  0  0  0  0
    2.9435  -13.1928   -1.8553 C   0  0  0  0  0
    3.7122  -14.4794   -2.1748 C   0  0  0  0  0
    2.8964  -15.7726   -2.0638 C   0  0  0  0  0
    2.2619  -16.0311   -0.6924 C   0  0  0  0  0
    3.2934  -16.1794    0.4313 C   0  0  0  0  0
    2.6366  -16.4290    1.7866 C   0  0  0  0  0
    1.8742  -15.2800    2.1441 O   0  0  0  0  0
    1.2623  -15.4137    3.4230 C   0  0  0  0  0
    0.5116  -14.1269    3.7598 C   0  0  0  0  0
    1.3636  -12.8558    3.6596 C   0  0  0  0  0
    2.5488  -12.8374    4.6298 C   0  0  0  0  0
    3.3655  -11.5415    4.5596 C   0  0  0  0  0
    4.0728  -11.3604    3.2139 C   0  0  0  0  0
    4.8707  -10.1369    3.2291 N   0  0  0  0  0
    5.4775   -9.8999    1.9168 C   0  0  0  0  0
    6.2638   -8.6078    1.9012 C   0  0  0  0  0
    7.6140   -8.6253    2.2949 C   0  0  0  0  0
    8.3673   -7.4525    2.3071 C   0  0  0  0  0
    7.7762   -6.2492    1.9359 C   0  0  0  0  0
    6.4343   -6.2143    1.5493 C   0  0  0  0  0
    5.6692   -7.3866    1.5275 C   0  0  0  0  0
    4.3551   -7.4473    1.1456 O   0  0  0  0  0
    3.6965   -6.2266    0.8435 C   0  0  0  0  0
   13.3017   -7.5645  -10.3769 H   0  0  0  0  0
   13.3244   -5.9700  -11.1441 H   0  0  0  0  0
   12.9025   -7.4495  -12.0940 H   0  0  0  0  0
   11.8955   -5.8344  -13.2797 H   0  0  0  0  0
   10.4782   -4.1977  -14.4172 H   0  0  0  0  0
    8.4487   -3.3044  -13.3055 H   0  0  0  0  0
    7.8484   -4.0679  -11.0332 H   0  0  0  0  0
    8.7826   -4.9245   -8.8922 H   0  0  0  0  0
   10.0199   -6.1662   -8.8671 H   0  0  0  0  0
    8.5126   -7.6538   -9.9535 H   0  0  0  0  0
    7.1626   -6.3196   -7.6923 H   0  0  0  0  0
    8.4822   -7.4950   -7.5220 H   0  0  0  0  0
    7.1159   -9.2181   -8.6915 H   0  0  0  0  0
    5.8079   -8.0537   -8.9176 H   0  0  0  0  0
    5.5656   -7.8204   -6.4475 H   0  0  0  0  0
    6.8969   -8.9519   -6.1971 H   0  0  0  0  0
    5.6042  -10.7436   -7.3725 H   0  0  0  0  0
    4.2733   -9.6149   -7.6399 H   0  0  0  0  0
    4.0112   -9.3354   -5.1587 H   0  0  0  0  0
    5.3418  -10.4387   -4.8828 H   0  0  0  0  0
    4.0759  -12.2825   -5.9963 H   0  0  0  0  0
    2.7185  -11.1607   -6.2966 H   0  0  0  0  0
    2.5866  -13.5921   -4.6675 H   0  0  0  0  0
    1.2601  -12.4215   -4.8257 H   0  0  0  0  0
    1.0102  -13.6970   -2.7160 H   0  0  0  0  0
    1.2751  -11.9831   -2.4154 H   0  0  0  0  0
    2.5824  -13.2248   -0.8206 H   0  0  0  0  0
    3.6481  -12.3524   -1.8931 H   0  0  0  0  0
    4.5810  -14.5390   -1.5089 H   0  0  0  0  0
    4.1297  -14.4164   -3.1866 H   0  0  0  0  0
    3.5508  -16.6165   -2.3156 H   0  0  0  0  0
    2.1041  -15.7696   -2.8213 H   0  0  0  0  0
    1.6742  -16.9555   -0.7560 H   0  0  0  0  0
    1.5496  -15.2333   -0.4562 H   0  0  0  0  0
    3.8928  -15.2657    0.5034 H   0  0  0  0  0
    3.9721  -17.0082    0.1992 H   0  0  0  0  0
    3.4151  -16.5969    2.5393 H   0  0  0  0  0
    1.9866  -17.3103    1.7449 H   0  0  0  0  0
    2.0239  -15.6248    4.1822 H   0  0  0  0  0
    0.5569  -16.2526    3.4021 H   0  0  0  0  0
    0.0773  -14.2089    4.7625 H   0  0  0  0  0
   -0.3213  -14.0175    3.0550 H   0  0  0  0  0
    0.7200  -11.9906    3.8637 H   0  0  0  0  0
    1.7122  -12.7457    2.6268 H   0  0  0  0  0
    3.2158  -13.6837    4.4346 H   0  0  0  0  0
    2.1725  -12.9566    5.6525 H   0  0  0  0  0
    4.1119  -11.5644    5.3635 H   0  0  0  0  0
    2.7104  -10.6838    4.7596 H   0  0  0  0  0
    3.3291  -11.2934    2.4139 H   0  0  0  0  0
    4.7129  -12.2281    3.0133 H   0  0  0  0  0
    5.6023  -10.1966    3.9337 H   0  0  0  0  0
    4.7123   -9.8774    1.1314 H   0  0  0  0  0
    6.1502  -10.7283    1.6569 H   0  0  0  0  0
    8.0832   -9.5596    2.5916 H   0  0  0  0  0
    9.4106   -7.4781    2.6075 H   0  0  0  0  0
    8.3584   -5.3324    1.9466 H   0  0  0  0  0
    6.0143   -5.2549    1.2672 H   0  0  0  0  0
    2.6559   -6.4603    0.5984 H   0  0  0  0  0
    4.1430   -5.7452   -0.0326 H   0  0  0  0  0
    3.6916   -5.5536    1.7074 H   0  0  0  0  0
  1  2  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  1 45  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 46  1  0  0  0
  5  6  2  0  0  0
  5 47  1  0  0  0
  6  7  1  0  0  0
  6 48  1  0  0  0
  7  8  2  0  0  0
  7 49  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 50  1  0  0  0
  9 51  1  0  0  0
 10 11  1  0  0  0
 10 52  1  0  0  0
 11 12  1  0  0  0
 11 53  1  0  0  0
 11 54  1  0  0  0
 12 13  1  0  0  0
 12 55  1  0  0  0
 12 56  1  0  0  0
 13 14  1  0  0  0
 13 57  1  0  0  0
 13 58  1  0  0  0
 14 15  1  0  0  0
 14 59  1  0  0  0
 14 60  1  0  0  0
 15 16  1  0  0  0
 15 61  1  0  0  0
 15 62  1  0  0  0
 16 17  1  0  0  0
 16 63  1  0  0  0
 16 64  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 65  1  0  0  0
 18 66  1  0  0  0
 19 20  1  0  0  0
 19 67  1  0  0  0
 19 68  1  0  0  0
 20 21  1  0  0  0
 20 69  1  0  0  0
 20 70  1  0  0  0
 21 22  1  0  0  0
 21 71  1  0  0  0
 21 72  1  0  0  0
 22 23  1  0  0  0
 22 73  1  0  0  0
 22 74  1  0  0  0
 23 24  1  0  0  0
 23 75  1  0  0  0
 23 76  1  0  0  0
 24 25  1  0  0  0
 24 77  1  0  0  0
 24 78  1  0  0  0
 25 26  1  0  0  0
 25 79  1  0  0  0
 25 80  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 27 81  1  0  0  0
 27 82  1  0  0  0
 28 29  1  0  0  0
 28 83  1  0  0  0
 28 84  1  0  0  0
 29 30  1  0  0  0
 29 85  1  0  0  0
 29 86  1  0  0  0
 30 31  1  0  0  0
 30 87  1  0  0  0
 30 88  1  0  0  0
 31 32  1  0  0  0
 31 89  1  0  0  0
 31 90  1  0  0  0
 32 33  1  0  0  0
 32 91  1  0  0  0
 32 92  1  0  0  0
 33 34  1  0  0  0
 33 93  1  0  0  0
 34 35  1  0  0  0
 34 94  1  0  0  0
 34 95  1  0  0  0
 35 36  2  0  0  0
 35 40  1  0  0  0
 36 37  1  0  0  0
 36 96  1  0  0  0
 37 38  2  0  0  0
 37 97  1  0  0  0
 38 39  1  0  0  0
 38 98  1  0  0  0
 39 40  2  0  0  0
 39 99  1  0  0  0
 40 41  1  0  0  0
 41 42  1  0  0  0
 42100  1  0  0  0
 42101  1  0  0  0
 42102  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL294865

>  <PubChem CID>
14914781

>  <Formula>
C36H60N2O4

>  <Molecular Weight>
584.886000

>  <IUPAC Name>
N-[(2-methoxyphenyl)methyl]-6-[8-[6-[(2-methoxyphenyl)methylamino]hexoxy]octoxy]hexan-1-amine

>  <XlogP>
7.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC=C1CNCCCCCCOCCCCCCCCOCCCCCCNCC2=CC=CC=C2OC

>  <Isomeric SMILES>
COC1=CC=CC=C1CNCCCCCCOCCCCCCCCOCCCCCCNCC2=CC=CC=C2OC

>  <InChI Std. ID>
InChI=1S/C36H60N2O4/c1-39-35-23-13-11-21-33(35)31-37-25-15-5-9-19-29-41-27-17-7-3-4-8-18-28-42-30-20-10-6-16-26-38-32-34-22-12-14-24-36(34)40-2/h11-14,21-24,37-38H,3-10,15-20,25-32H2,1-2H3

>  <InChI Key>
AIHIZDFXEMCYCS-UHFFFAOYSA-N

