
 CHEMBL61498

 50 51  0  0  0  0  0  0  0  0999 V2000
    0.7156    3.3757    0.0131 C   0  0  0  0  0
    1.1896    4.7101   -0.5426 C   0  0  0  0  0
    2.6042    5.0854   -0.0990 C   0  0  0  0  0
    3.6746    4.1545   -0.6568 C   0  0  0  0  0
    5.0010    4.5681   -0.2541 N   0  0  0  0  0
    6.1141    3.8302   -0.5929 C   0  0  0  0  0
    6.0614    2.8552   -1.3394 O   0  0  0  0  0
    7.4570    4.3877   -0.0958 C   0  0  0  0  0
    8.0222    5.3338   -1.1724 C   0  0  0  0  0
    7.9372    6.6664   -0.4983 C   0  0  0  0  0
    8.2206    7.9050   -1.0554 C   0  0  0  0  0
    8.1313    9.0340   -0.2409 C   0  0  0  0  0
    7.7729    8.9091    1.1086 C   0  0  0  0  0
    7.4968    7.6538    1.6603 C   0  0  0  0  0
    7.5802    6.5385    0.8441 C   0  0  0  0  0
    7.3266    5.1860    1.1571 N   0  0  0  0  0
    7.1469    4.6821    2.4399 C   0  0  0  0  0
    7.2384    5.3641    3.4579 O   0  0  0  0  0
    6.7967    3.1989    2.5201 C   0  0  0  0  0
    6.6006    2.6755    3.9535 C   0  0  0  0  0
    5.3327    3.2441    4.6251 C   0  0  0  0  0
    5.1590    2.7925    6.0715 C   0  0  0  0  0
    6.5226    1.2060    3.8783 N   0  0  0  0  0
   -0.3296    3.2038   -0.2634 H   0  0  0  0  0
    0.7842    3.3581    1.1054 H   0  0  0  0  0
    1.3032    2.5428   -0.3840 H   0  0  0  0  0
    0.5001    5.4925   -0.2040 H   0  0  0  0  0
    1.1344    4.6900   -1.6371 H   0  0  0  0  0
    2.6586    5.0998    0.9969 H   0  0  0  0  0
    2.8137    6.1103   -0.4306 H   0  0  0  0  0
    3.6451    4.1371   -1.7520 H   0  0  0  0  0
    3.5318    3.1280   -0.3028 H   0  0  0  0  0
    5.1246    5.4016    0.3121 H   0  0  0  0  0
    8.1294    3.5417    0.0844 H   0  0  0  0  0
    7.4548    5.3187   -2.1084 H   0  0  0  0  0
    9.0711    5.0947   -1.3789 H   0  0  0  0  0
    8.5129    7.9993   -2.0967 H   0  0  0  0  0
    8.3489   10.0175   -0.6511 H   0  0  0  0  0
    7.7118    9.7962    1.7351 H   0  0  0  0  0
    7.2187    7.5830    2.7066 H   0  0  0  0  0
    7.6178    2.6423    2.0524 H   0  0  0  0  0
    5.8817    3.0198    1.9459 H   0  0  0  0  0
    7.4793    2.9380    4.5550 H   0  0  0  0  0
    4.4395    2.9649    4.0527 H   0  0  0  0  0
    5.3655    4.3382    4.6260 H   0  0  0  0  0
    4.9446    1.7218    6.1367 H   0  0  0  0  0
    4.3206    3.3246    6.5323 H   0  0  0  0  0
    6.0576    3.0041    6.6600 H   0  0  0  0  0
    5.6436    0.9282    3.4414 H   0  0  0  0  0
    6.5013    0.8149    4.8194 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 16  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 20 23  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL61498

>  <PubChem CID>
44303372

>  <Formula>
C18H27N3O2

>  <Molecular Weight>
317.433000

>  <IUPAC Name>
(2S)-1-(3-aminopentanoyl)-N-butyl-2,3-dihydroindole-2-carboxamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCNC(=O)C1CC2=CC=CC=C2N1C(=O)CC(CC)N

>  <Isomeric SMILES>
CCCCNC(=O)[C@@H]1CC2=CC=CC=C2N1C(=O)CC(CC)N

>  <InChI Std. ID>
InChI=1S/C18H27N3O2/c1-3-5-10-20-18(23)16-11-13-8-6-7-9-15(13)21(16)17(22)12-14(19)4-2/h6-9,14,16H,3-5,10-12,19H2,1-2H3,(H,20,23)/t14?,16-/m0/s1

>  <InChI Key>
LRQQXHAERBCTNC-WMCAAGNKSA-N

