
 CHEMBL2111848

 51 54  0  0  0  0  0  0  0  0999 V2000
    0.2979   -0.6146   -0.3365 C   0  0  0  0  0
    1.7244   -0.6731   -0.1095 N   0  0  0  0  0
    2.5273    0.4097    0.1186 C   0  0  0  0  0
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    4.9644    0.8959    0.5979 C   0  0  0  0  0
    4.6075    2.3219    0.3419 N   0  0  0  0  0
    3.2571    2.6452    0.8757 C   0  0  0  0  0
    2.1273    1.8400    0.1844 C   0  0  0  0  0
    5.6425    3.1679    0.9553 C   0  0  0  0  0
    5.5211    4.6202    0.5820 C   0  0  0  0  0
    5.3198    5.6019    1.4778 C   0  0  0  0  0
    5.2086    7.0818    1.2158 C   0  0  0  0  0
    5.6815    7.5777   -0.1556 C   0  0  0  0  0
    5.5384    9.0765   -0.2804 C   0  0  0  0  0
    6.5712    9.9299    0.1319 C   0  0  0  0  0
    6.4257   11.3142    0.0330 C   0  0  0  0  0
    5.2460   11.8589   -0.4743 C   0  0  0  0  0
    4.2113   11.0190   -0.8805 C   0  0  0  0  0
    4.3546    9.6342   -0.7819 C   0  0  0  0  0
    3.8120   -1.4411    0.1706 C   0  0  0  0  0
    4.8063   -2.4370    0.2662 C   0  0  0  0  0
    4.4535   -3.7832    0.1337 C   0  0  0  0  0
    3.1300   -4.1485   -0.0877 C   0  0  0  0  0
    2.1240   -3.1817   -0.1878 C   0  0  0  0  0
    2.4845   -1.8291   -0.0592 C   0  0  0  0  0
   -0.0343   -1.5097   -0.8648 H   0  0  0  0  0
    0.0700    0.2609   -0.9487 H   0  0  0  0  0
   -0.1961   -0.5414    0.6354 H   0  0  0  0  0
    5.2351    0.7462    1.6513 H   0  0  0  0  0
    5.8301    0.6286   -0.0194 H   0  0  0  0  0
    3.2293    2.4590    1.9587 H   0  0  0  0  0
    3.0259    3.7060    0.7255 H   0  0  0  0  0
    1.1941    1.9666    0.7430 H   0  0  0  0  0
    1.9721    2.2189   -0.8325 H   0  0  0  0  0
    6.6293    2.8421    0.6007 H   0  0  0  0  0
    5.6473    3.0457    2.0469 H   0  0  0  0  0
    5.6179    4.8383   -0.4777 H   0  0  0  0  0
    5.2108    5.3288    2.5271 H   0  0  0  0  0
    5.7904    7.5935    1.9935 H   0  0  0  0  0
    4.1631    7.3736    1.3767 H   0  0  0  0  0
    5.1099    7.0975   -0.9601 H   0  0  0  0  0
    6.7315    7.3004   -0.3193 H   0  0  0  0  0
    7.4947    9.5199    0.5331 H   0  0  0  0  0
    7.2319   11.9693    0.3521 H   0  0  0  0  0
    5.1345   12.9373   -0.5524 H   0  0  0  0  0
    3.2911   11.4420   -1.2740 H   0  0  0  0  0
    3.5369    8.9914   -1.0988 H   0  0  0  0  0
    5.8414   -2.1632    0.4436 H   0  0  0  0  0
    5.2211   -4.5496    0.2076 H   0  0  0  0  0
    2.8712   -5.1998   -0.1841 H   0  0  0  0  0
    1.0956   -3.4828   -0.3570 H   0  0  0  0  0
  1  2  1  0  0  0
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  4 20  1  0  0  0
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  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8 33  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
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M  END

>  <Chemical Name>
CHEMBL2111848

>  <PubChem CID>
71452650

>  <Formula>
C23H26N2

>  <Molecular Weight>
330.475000

>  <IUPAC Name>
5-methyl-2-[(Z)-5-phenylpent-2-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN1C2=C(CN(CC2)CC=CCCC3=CC=CC=C3)C4=CC=CC=C41

>  <Isomeric SMILES>
CN1C2=C(CN(CC2)C/C=C\CCC3=CC=CC=C3)C4=CC=CC=C41

>  <InChI Std. ID>
InChI=1S/C23H26N2/c1-24-22-14-8-7-13-20(22)21-18-25(17-15-23(21)24)16-9-3-6-12-19-10-4-2-5-11-19/h2-5,7-11,13-14H,6,12,15-18H2,1H3/b9-3-

>  <InChI Key>
TZMGYAZWNMOAIK-OQFOIZHKSA-N

