
 SMR000151229

 64 68  0  0  0  0  0  0  0  0999 V2000
    1.2461    1.5022   -0.3843 C   0  0  0  0  0
   -0.1284    1.9350    0.1176 C   0  0  0  0  0
   -1.1970    0.8664   -0.1497 C   0  0  0  0  0
   -0.7584   -0.4901    0.4235 C   0  0  0  0  0
    0.6306   -0.9359   -0.0607 C   0  0  0  0  0
    1.6686    0.1620    0.2106 C   0  0  0  0  0
    1.0743   -2.2569    0.6004 C   0  0  0  0  0
    0.1654   -3.3555    0.3240 N   0  0  0  0  0
   -0.8743   -3.6744    1.1727 C   0  0  0  0  0
   -1.0193   -3.0739    2.2350 O   0  0  0  0  0
   -1.7300   -4.6495    0.6969 N   0  0  0  0  0
   -1.6262   -5.3634   -0.5857 C   0  0  0  0  0
   -2.8161   -6.3245   -0.6913 C   0  0  0  0  0
   -3.5720   -6.0253    0.5589 C   0  0  0  0  0
   -4.7742   -6.5866    0.9675 C   0  0  0  0  0
   -5.3233   -6.1725    2.1813 C   0  0  0  0  0
   -4.6677   -5.2117    2.9635 C   0  0  0  0  0
   -3.4575   -4.6530    2.5420 C   0  0  0  0  0
   -2.9170   -5.0674    1.3351 C   0  0  0  0  0
   -2.5484    1.3110    0.4375 C   0  0  0  0  0
   -3.6149    0.3716    0.1425 N   0  0  0  0  0
   -4.9211    0.7128    0.3690 C   0  0  0  0  0
   -5.2377    1.8101    0.8271 O   0  0  0  0  0
   -5.8530   -0.2642    0.0898 N   0  0  0  0  0
   -7.2336   -0.0963    0.5555 C   0  0  0  0  0
   -8.0378   -1.3094    0.0835 C   0  0  0  0  0
   -7.0049   -2.1049   -0.6485 C   0  0  0  0  0
   -7.2001   -3.3136   -1.3029 C   0  0  0  0  0
   -6.1247   -3.8787   -1.9852 C   0  0  0  0  0
   -4.8872   -3.2235   -2.0181 C   0  0  0  0  0
   -4.7031   -2.0050   -1.3537 C   0  0  0  0  0
   -5.7643   -1.4610   -0.6472 C   0  0  0  0  0
    1.2312    1.4294   -1.4785 H   0  0  0  0  0
    1.9872    2.2672   -0.1254 H   0  0  0  0  0
   -0.4107    2.8755   -0.3705 H   0  0  0  0  0
   -0.0695    2.1418    1.1940 H   0  0  0  0  0
   -1.3113    0.7548   -1.2369 H   0  0  0  0  0
   -0.7678   -0.4411    1.5199 H   0  0  0  0  0
   -1.4899   -1.2472    0.1248 H   0  0  0  0  0
    0.5733   -1.0979   -1.1462 H   0  0  0  0  0
    1.8125    0.2787    1.2926 H   0  0  0  0  0
    2.6391   -0.1290   -0.2084 H   0  0  0  0  0
    1.1774   -2.1301    1.6841 H   0  0  0  0  0
    2.0528   -2.5571    0.2089 H   0  0  0  0  0
    0.3756   -3.9602   -0.4515 H   0  0  0  0  0
   -0.6740   -5.9048   -0.6203 H   0  0  0  0  0
   -1.6327   -4.6306   -1.4011 H   0  0  0  0  0
   -2.4806   -7.3660   -0.7079 H   0  0  0  0  0
   -3.4139   -6.1181   -1.5840 H   0  0  0  0  0
   -5.2809   -7.3298    0.3608 H   0  0  0  0  0
   -6.2630   -6.5953    2.5253 H   0  0  0  0  0
   -5.1033   -4.8950    3.9088 H   0  0  0  0  0
   -2.9706   -3.9107    3.1649 H   0  0  0  0  0
   -2.8312    2.2884    0.0283 H   0  0  0  0  0
   -2.4900    1.4152    1.5275 H   0  0  0  0  0
   -3.4471   -0.5800    0.4389 H   0  0  0  0  0
   -7.6419    0.8411    0.1602 H   0  0  0  0  0
   -7.2279   -0.0239    1.6500 H   0  0  0  0  0
   -8.8454   -1.0030   -0.5892 H   0  0  0  0  0
   -8.4535   -1.8685    0.9268 H   0  0  0  0  0
   -8.1684   -3.8037   -1.2953 H   0  0  0  0  0
   -6.2512   -4.8230   -2.5083 H   0  0  0  0  0
   -4.0628   -3.6598   -2.5754 H   0  0  0  0  0
   -3.7431   -1.5125   -1.4379 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 40  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  8 45  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 19  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 12 47  1  0  0  0
 13 14  1  0  0  0
 13 48  1  0  0  0
 13 49  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 50  1  0  0  0
 16 17  2  0  0  0
 16 51  1  0  0  0
 17 18  1  0  0  0
 17 52  1  0  0  0
 18 19  2  0  0  0
 18 53  1  0  0  0
 20 21  1  0  0  0
 20 54  1  0  0  0
 20 55  1  0  0  0
 21 22  1  0  0  0
 21 56  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 32  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 57  1  0  0  0
 25 58  1  0  0  0
 26 27  1  0  0  0
 26 59  1  0  0  0
 26 60  1  0  0  0
 27 32  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 28 61  1  0  0  0
 29 30  2  0  0  0
 29 62  1  0  0  0
 30 31  1  0  0  0
 30 63  1  0  0  0
 31 32  2  0  0  0
 31 64  1  0  0  0
M  END

>  <Chemical Name>
SMR000151229

>  <PubChem CID>
4032625

>  <Formula>
C26H32N4O2

>  <Molecular Weight>
432.568000

>  <IUPAC Name>
N-[[3-[(2,3-dihydroindole-1-carbonylamino)methyl]cyclohexyl]methyl]-2,3-dihydroindole-1-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC(CC(C1)CNC(=O)N2CCC3=CC=CC=C32)CNC(=O)N4CCC5=CC=CC=C54

>  <Isomeric SMILES>
C1CC(CC(C1)CNC(=O)N2CCC3=CC=CC=C32)CNC(=O)N4CCC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C26H32N4O2/c31-25(29-14-12-21-8-1-3-10-23(21)29)27-17-19-6-5-7-20(16-19)18-28-26(32)30-15-13-22-9-2-4-11-24(22)30/h1-4,8-11,19-20H,5-7,12-18H2,(H,27,31)(H,28,32)

>  <InChI Key>
ADQOQDWLPPQSFQ-UHFFFAOYSA-N

