
 CHEMBL192683

 70 71  0  0  0  0  0  0  0  0999 V2000
   12.6877   -3.4497    3.2703 C   0  0  0  0  0
   12.4676   -2.6300    2.1661 C   0  0  0  0  0
   11.1646   -2.3913    1.7247 C   0  0  0  0  0
   10.0748   -2.9767    2.3764 C   0  0  0  0  0
   10.3003   -3.7790    3.4964 C   0  0  0  0  0
   11.6051   -4.0195    3.9370 C   0  0  0  0  0
    8.8504   -2.6904    1.8322 O   0  0  0  0  0
    7.7576   -3.4959    2.2665 C   0  0  0  0  0
    6.5292   -3.4915    1.3437 C   0  0  0  0  0
    5.4024   -3.7179    1.7922 O   0  0  0  0  0
    6.7055   -3.3120   -0.0047 N   0  0  0  0  0
    7.9444   -3.0945   -0.6001 N   0  0  0  0  0
    8.0273   -3.1322   -1.9764 C   0  0  0  0  0
    7.1133   -3.5167   -2.7005 O   0  0  0  0  0
    9.3509   -2.6359   -2.5136 C   0  0  0  0  0
   10.4796   -3.6324   -2.2646 C   0  0  0  0  0
   11.8121   -3.0756   -2.7704 C   0  0  0  0  0
   12.9448   -4.0913   -2.6165 C   0  0  0  0  0
   14.3137   -3.5488   -3.0459 C   0  0  0  0  0
   14.3955   -3.2149   -4.5392 C   0  0  0  0  0
   15.7696   -2.6954   -4.9818 C   0  0  0  0  0
   16.9211   -3.6832   -4.8103 C   0  0  0  0  0
   16.7606   -4.9201   -5.6674 C   0  0  0  0  0
   16.3126   -5.9772   -5.2308 O   0  0  0  0  0
   17.1444   -4.7462   -6.9784 N   0  0  0  0  0
   17.0028   -5.8117   -7.8687 N   0  0  0  0  0
   17.0624   -5.5467   -9.2193 C   0  0  0  0  0
   17.3695   -4.4384   -9.6632 O   0  0  0  0  0
   16.7630   -6.7367  -10.1266 C   0  0  0  0  0
   16.1966   -7.8234   -9.4016 O   0  0  0  0  0
   16.0036   -8.9796  -10.1091 C   0  0  0  0  0
   15.8551  -10.1304   -9.3311 C   0  0  0  0  0
   15.6554  -11.3737   -9.9341 C   0  0  0  0  0
   15.5883  -11.4703  -11.3220 C   0  0  0  0  0
   15.7163  -10.3235  -12.1034 C   0  0  0  0  0
   15.9225   -9.0791  -11.4997 C   0  0  0  0  0
   13.7008   -3.6400    3.6158 H   0  0  0  0  0
   13.3100   -2.1770    1.6496 H   0  0  0  0  0
   11.0063   -1.7477    0.8638 H   0  0  0  0  0
    9.4864   -4.2301    4.0547 H   0  0  0  0  0
   11.7753   -4.6529    4.8044 H   0  0  0  0  0
    7.4255   -3.1198    3.2418 H   0  0  0  0  0
    8.0467   -4.5507    2.3491 H   0  0  0  0  0
    5.9013   -3.4078   -0.6258 H   0  0  0  0  0
    8.6435   -2.6011   -0.0449 H   0  0  0  0  0
    9.5764   -1.6720   -2.0414 H   0  0  0  0  0
    9.2350   -2.4460   -3.5870 H   0  0  0  0  0
   10.2498   -4.5764   -2.7743 H   0  0  0  0  0
   10.5583   -3.8650   -1.1959 H   0  0  0  0  0
   12.0604   -2.1625   -2.2157 H   0  0  0  0  0
   11.6998   -2.7965   -3.8234 H   0  0  0  0  0
   12.7135   -4.9945   -3.1941 H   0  0  0  0  0
   13.0112   -4.3974   -1.5649 H   0  0  0  0  0
   15.0599   -4.3112   -2.7972 H   0  0  0  0  0
   14.5585   -2.6589   -2.4536 H   0  0  0  0  0
   13.6636   -2.4351   -4.7787 H   0  0  0  0  0
   14.1194   -4.0944   -5.1321 H   0  0  0  0  0
   16.0024   -1.7837   -4.4179 H   0  0  0  0  0
   15.6986   -2.3993   -6.0360 H   0  0  0  0  0
   17.0421   -3.9913   -3.7672 H   0  0  0  0  0
   17.8610   -3.1909   -5.0899 H   0  0  0  0  0
   17.4268   -3.8514   -7.3753 H   0  0  0  0  0
   16.5818   -6.6731   -7.5150 H   0  0  0  0  0
   17.7125   -7.0391  -10.5845 H   0  0  0  0  0
   16.0572   -6.3797  -10.8849 H   0  0  0  0  0
   15.9034  -10.0621   -8.2471 H   0  0  0  0  0
   15.5514  -12.2644   -9.3201 H   0  0  0  0  0
   15.4307  -12.4367  -11.7940 H   0  0  0  0  0
   15.6512  -10.3966  -13.1863 H   0  0  0  0  0
   16.0003   -8.2104  -12.1445 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  3  4  2  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 42  1  0  0  0
  8 43  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
 12 13  1  0  0  0
 12 45  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 17  1  0  0  0
 16 48  1  0  0  0
 16 49  1  0  0  0
 17 18  1  0  0  0
 17 50  1  0  0  0
 17 51  1  0  0  0
 18 19  1  0  0  0
 18 52  1  0  0  0
 18 53  1  0  0  0
 19 20  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 20 21  1  0  0  0
 20 56  1  0  0  0
 20 57  1  0  0  0
 21 22  1  0  0  0
 21 58  1  0  0  0
 21 59  1  0  0  0
 22 23  1  0  0  0
 22 60  1  0  0  0
 22 61  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 26  1  0  0  0
 25 62  1  0  0  0
 26 27  1  0  0  0
 26 63  1  0  0  0
 27 29  1  0  0  0
 27 28  2  0  0  0
 29 30  1  0  0  0
 29 64  1  0  0  0
 29 65  1  0  0  0
 30 31  1  0  0  0
 31 32  2  0  0  0
 31 36  1  0  0  0
 32 33  1  0  0  0
 32 66  1  0  0  0
 33 34  2  0  0  0
 33 67  1  0  0  0
 34 35  1  0  0  0
 34 68  1  0  0  0
 35 36  2  0  0  0
 35 69  1  0  0  0
 36 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL192683

>  <PubChem CID>
11306563

>  <Formula>
C26H34N4O6

>  <Molecular Weight>
498.580000

>  <IUPAC Name>
1-N',10-N'-bis(2-phenoxyacetyl)decanedihydrazide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)OCC(=O)NNC(=O)CCCCCCCCC(=O)NNC(=O)COC2=CC=CC=C2

>  <Isomeric SMILES>
C1=CC=C(C=C1)OCC(=O)NNC(=O)CCCCCCCCC(=O)NNC(=O)COC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C26H34N4O6/c31-23(27-29-25(33)19-35-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(32)28-30-26(34)20-36-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2,(H,27,31)(H,28,32)(H,29,33)(H,30,34)

>  <InChI Key>
PCQLCHOJTFKNTO-UHFFFAOYSA-N

