
 CHEMBL500655

 57 61  0  0  0  0  0  0  0  0999 V2000
    2.2205   -0.8495   -1.1138 C   0  0  0  0  0
    2.9031   -0.9198    0.2412 C   0  0  0  0  0
    3.3678    0.3838    0.6914 N   0  0  0  0  0
    4.6353    0.8888    0.4699 C   0  0  0  0  0
    4.6733    2.1564    1.0485 C   0  0  0  0  0
    5.8635    2.9096    0.9620 C   0  0  0  0  0
    6.9999    2.3734    0.3390 C   0  0  0  0  0
    6.9334    1.1042   -0.2283 C   0  0  0  0  0
    5.7532    0.3472   -0.1846 C   0  0  0  0  0
    8.1538    3.1826    0.3344 N   0  0  0  0  0
    9.4243    2.8464   -0.0897 C   0  0  0  0  0
    9.7936    1.7693   -0.5439 O   0  0  0  0  0
   10.3965    4.0061    0.0161 C   0  0  0  0  0
   10.5677    4.6796   -1.3380 C   0  0  0  0  0
    9.2986    5.2625   -1.8364 C   0  0  0  0  0
    8.4357    6.0455   -1.2278 N   0  0  0  0  0
    7.4723    6.2131   -2.1946 C   0  0  0  0  0
    7.7128    5.5628   -3.3413 N   0  0  0  0  0
    8.9277    4.9246   -3.1038 O   0  0  0  0  0
    6.2613    7.0764   -2.0292 C   0  0  0  0  0
    5.7904    7.1958   -0.5736 C   0  0  0  0  0
    6.6120    8.2016    0.2248 C   0  0  0  0  0
    6.6673    9.4594   -0.4443 O   0  0  0  0  0
    7.2983    9.3593   -1.7196 C   0  0  0  0  0
    6.4777    8.4677   -2.6402 C   0  0  0  0  0
    3.4013    2.3996    1.6526 C   0  0  0  0  0
    2.8665    3.4781    2.3881 C   0  0  0  0  0
    1.5587    3.4029    2.8749 C   0  0  0  0  0
    0.7809    2.2761    2.6323 C   0  0  0  0  0
    1.2855    1.1971    1.8994 C   0  0  0  0  0
    2.6049    1.2771    1.4217 C   0  0  0  0  0
    1.8694   -1.8416   -1.4135 H   0  0  0  0  0
    2.9073   -0.4831   -1.8837 H   0  0  0  0  0
    1.3573   -0.1762   -1.0893 H   0  0  0  0  0
    3.7609   -1.5991    0.2064 H   0  0  0  0  0
    2.2194   -1.3173    0.9987 H   0  0  0  0  0
    5.8885    3.8955    1.4140 H   0  0  0  0  0
    7.7900    0.6660   -0.7328 H   0  0  0  0  0
    5.7268   -0.6366   -0.6428 H   0  0  0  0  0
    8.0242    4.1236    0.6890 H   0  0  0  0  0
   11.3562    3.6094    0.3674 H   0  0  0  0  0
   10.0608    4.7232    0.7751 H   0  0  0  0  0
   10.9588    3.9584   -2.0656 H   0  0  0  0  0
   11.3106    5.4808   -1.2503 H   0  0  0  0  0
    5.4520    6.5874   -2.5904 H   0  0  0  0  0
    5.7898    6.2223   -0.0704 H   0  0  0  0  0
    4.7508    7.5501   -0.5895 H   0  0  0  0  0
    6.1388    8.3681    1.1981 H   0  0  0  0  0
    7.6292    7.8475    0.4202 H   0  0  0  0  0
    7.3577   10.3685   -2.1399 H   0  0  0  0  0
    8.3249    8.9943   -1.5986 H   0  0  0  0  0
    5.4938    8.9325   -2.7834 H   0  0  0  0  0
    6.9537    8.4050   -3.6255 H   0  0  0  0  0
    3.4690    4.3592    2.5853 H   0  0  0  0  0
    1.1504    4.2302    3.4496 H   0  0  0  0  0
   -0.2348    2.2311    3.0194 H   0  0  0  0  0
    0.6654    0.3255    1.7175 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  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 31  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 38  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 19  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 20  1  0  0  0
 18 19  1  0  0  0
 20 25  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 22 49  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
 25 52  1  0  0  0
 25 53  1  0  0  0
 26 31  1  0  0  0
 26 27  2  0  0  0
 27 28  1  0  0  0
 27 54  1  0  0  0
 28 29  2  0  0  0
 28 55  1  0  0  0
 29 30  1  0  0  0
 29 56  1  0  0  0
 30 31  2  0  0  0
 30 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL500655

>  <PubChem CID>
25033939

>  <Formula>
C24H26N4O3

>  <Molecular Weight>
418.497000

>  <IUPAC Name>
N-(9-ethylcarbazol-3-yl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]propanamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)CCC3=NC(=NO3)C4CCOCC4)C5=CC=CC=C51

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)CCC3=NC(=NO3)C4CCOCC4)C5=CC=CC=C51

>  <InChI Std. ID>
InChI=1S/C24H26N4O3/c1-2-28-20-6-4-3-5-18(20)19-15-17(7-8-21(19)28)25-22(29)9-10-23-26-24(27-31-23)16-11-13-30-14-12-16/h3-8,15-16H,2,9-14H2,1H3,(H,25,29)

>  <InChI Key>
BIBAWIYLLKCXHN-UHFFFAOYSA-N

