
 CHEMBL119726

 54 57  0  0  0  0  0  0  0  0999 V2000
    2.0887    3.0424    2.0685 C   0  0  0  0  0
    3.1885    2.2628    1.3946 C   0  0  0  0  0
    4.3928    2.9289    1.1305 C   0  0  0  0  0
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    1.7655    0.3109    1.2272 N   0  0  0  0  0
    1.0145   -0.2489    0.2088 C   0  0  0  0  0
    1.3311   -0.2267   -0.9769 O   0  0  0  0  0
   -0.1781   -0.8183    0.6402 N   0  0  0  0  0
   -1.2354   -1.0558   -0.3454 C   0  0  0  0  0
   -2.0265   -2.3287   -0.0390 C   0  0  0  0  0
   -2.5076   -2.3260    1.3142 O   0  0  0  0  0
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   -0.5910   -0.9862    2.0378 C   0  0  0  0  0
    3.9892   -1.2773    0.1315 C   0  0  0  0  0
    6.5931    0.5145   -0.4287 C   0  0  0  0  0
    7.1361   -0.7060   -0.8969 C   0  0  0  0  0
    8.4630   -0.7716   -1.3349 C   0  0  0  0  0
    9.2602    0.3631   -1.3279 C   0  0  0  0  0
    8.7484    1.5883   -0.8973 C   0  0  0  0  0
    7.4113    1.6458   -0.4571 C   0  0  0  0  0
    6.6452    2.7110   -0.0129 N   0  0  0  0  0
    7.0949    4.1061   -0.0743 C   0  0  0  0  0
    6.0763    5.0701   -0.6919 C   0  0  0  0  0
    7.6083    4.5960    1.2771 C   0  0  0  0  0
    1.8663    2.6102    3.0491 H   0  0  0  0  0
    1.1847    3.0417    1.4505 H   0  0  0  0  0
    2.3697    4.0894    2.2250 H   0  0  0  0  0
    4.5121    3.9622    1.4370 H   0  0  0  0  0
    1.1708    0.7971    1.8775 H   0  0  0  0  0
   -0.8347   -1.0966   -1.3626 H   0  0  0  0  0
   -1.9025   -0.1871   -0.2847 H   0  0  0  0  0
   -2.8951   -2.3966   -0.7015 H   0  0  0  0  0
   -1.4121   -3.2225   -0.1983 H   0  0  0  0  0
   -1.8105   -2.3067    3.2456 H   0  0  0  0  0
   -0.7780   -3.1579    2.0875 H   0  0  0  0  0
   -1.2031   -0.1120    2.2878 H   0  0  0  0  0
    0.2767   -1.0043    2.7036 H   0  0  0  0  0
    3.1235   -1.7437    0.6072 H   0  0  0  0  0
    4.8568   -1.7997    0.5460 H   0  0  0  0  0
    3.9369   -1.4572   -0.9464 H   0  0  0  0  0
    6.5366   -1.6097   -0.9130 H   0  0  0  0  0
    8.8695   -1.7193   -1.6782 H   0  0  0  0  0
   10.2921    0.3008   -1.6650 H   0  0  0  0  0
    9.3866    2.4660   -0.9018 H   0  0  0  0  0
    7.9433    4.1188   -0.7679 H   0  0  0  0  0
    5.2956    5.3659    0.0136 H   0  0  0  0  0
    5.5945    4.6325   -1.5730 H   0  0  0  0  0
    6.5765    5.9928   -1.0075 H   0  0  0  0  0
    6.8197    4.6030    2.0359 H   0  0  0  0  0
    8.0063    5.6131    1.1932 H   0  0  0  0  0
    8.4148    3.9507    1.6435 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  6  7  2  0  0  0
  6 17  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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 11 12  1  0  0  0
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 15 38  1  0  0  0
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 18 23  1  0  0  0
 18 19  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL119726

>  <PubChem CID>
11035908

>  <Formula>
C22H27N3O2

>  <Molecular Weight>
365.477000

>  <IUPAC Name>
N-(2,4-dimethyl-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC2=C(C(=C1NC(=O)N3CCOCC3)C)C4=CC=CC=C4N2C(C)C

>  <Isomeric SMILES>
CC1=CC2=C(C(=C1NC(=O)N3CCOCC3)C)C4=CC=CC=C4N2C(C)C

>  <InChI Std. ID>
InChI=1S/C22H27N3O2/c1-14(2)25-18-8-6-5-7-17(18)20-16(4)21(15(3)13-19(20)25)23-22(26)24-9-11-27-12-10-24/h5-8,13-14H,9-12H2,1-4H3,(H,23,26)

>  <InChI Key>
BHTJQQZHOZWIRO-UHFFFAOYSA-N

