
 CHEMBL2181184

 54 57  0  0  0  0  0  0  0  0999 V2000
    2.6073   -3.7774   -5.6685 C   0  0  0  0  0
    2.1162   -2.4704   -5.0651 C   0  0  0  0  0
    2.9071   -2.0362   -3.8227 C   0  0  0  0  0
    4.3569   -1.8834   -4.0243 N   0  0  0  0  0
    4.7258   -0.8564   -5.0091 C   0  0  0  0  0
    4.4791    0.5773   -4.5287 C   0  0  0  0  0
    5.1613    0.8648   -3.1816 C   0  0  0  0  0
    4.8282   -0.2444   -2.1731 C   0  0  0  0  0
    5.0545   -1.6476   -2.7497 C   0  0  0  0  0
    6.6830    1.0252   -3.3270 C   0  0  0  0  0
    6.9609    2.1689   -4.1416 O   0  0  0  0  0
    8.3190    2.4418   -4.2062 C   0  0  0  0  0
    9.1681    1.4325   -3.9248 N   0  0  0  0  0
   10.4752    1.6831   -3.9370 C   0  0  0  0  0
   11.0177    2.9470   -4.2483 C   0  0  0  0  0
   12.4289    3.0809   -4.1973 C   0  0  0  0  0
   13.2593    2.0137   -3.8410 C   0  0  0  0  0
   12.7047    0.7772   -3.5287 C   0  0  0  0  0
   11.3162    0.6304   -3.6019 C   0  0  0  0  0
   13.5605   -0.3882   -3.1334 C   0  0  0  0  0
   10.1007    4.0050   -4.5755 C   0  0  0  0  0
   10.4969    5.3257   -4.9080 C   0  0  0  0  0
    9.5696    6.3329   -5.1970 C   0  0  0  0  0
    8.2135    6.0517   -5.1688 C   0  0  0  0  0
    7.7879    4.7651   -4.8537 C   0  0  0  0  0
    8.7144    3.7371   -4.5546 C   0  0  0  0  0
    1.9593   -4.0726   -6.4997 H   0  0  0  0  0
    2.5937   -4.5817   -4.9264 H   0  0  0  0  0
    3.6259   -3.6823   -6.0572 H   0  0  0  0  0
    1.0658   -2.5955   -4.7736 H   0  0  0  0  0
    2.1269   -1.6843   -5.8272 H   0  0  0  0  0
    2.7419   -2.8041   -3.0555 H   0  0  0  0  0
    2.4562   -1.1158   -3.4360 H   0  0  0  0  0
    4.2108   -1.0191   -5.9610 H   0  0  0  0  0
    5.7883   -0.9804   -5.2530 H   0  0  0  0  0
    4.8230    1.2818   -5.2947 H   0  0  0  0  0
    3.4000    0.7468   -4.4259 H   0  0  0  0  0
    4.7647    1.8171   -2.8054 H   0  0  0  0  0
    5.4293   -0.1240   -1.2637 H   0  0  0  0  0
    3.7825   -0.1401   -1.8592 H   0  0  0  0  0
    6.1282   -1.8109   -2.9046 H   0  0  0  0  0
    4.7581   -2.4004   -2.0094 H   0  0  0  0  0
    7.1207    0.1264   -3.7746 H   0  0  0  0  0
    7.1173    1.1787   -2.3301 H   0  0  0  0  0
   12.9082    4.0294   -4.4248 H   0  0  0  0  0
   14.3354    2.1644   -3.8030 H   0  0  0  0  0
   10.8671   -0.3335   -3.3729 H   0  0  0  0  0
   14.5967   -0.0842   -2.9588 H   0  0  0  0  0
   13.5517   -1.1478   -3.9220 H   0  0  0  0  0
   13.1864   -0.8325   -2.2044 H   0  0  0  0  0
   11.5482    5.5999   -4.9426 H   0  0  0  0  0
    9.9148    7.3346   -5.4403 H   0  0  0  0  0
    7.4861    6.8290   -5.3882 H   0  0  0  0  0
    6.7196    4.5576   -4.8336 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 21  1  0  0  0
 16 17  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2181184

>  <PubChem CID>
71450246

>  <Formula>
C23H28N2O

>  <Molecular Weight>
348.490000

>  <IUPAC Name>
3-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN1CCC(CC1)COC2=NC3=C(C=CC(=C3)C)C4=CC=CC=C42

>  <Isomeric SMILES>
CCCN1CCC(CC1)COC2=NC3=C(C=CC(=C3)C)C4=CC=CC=C42

>  <InChI Std. ID>
InChI=1S/C23H28N2O/c1-3-12-25-13-10-18(11-14-25)16-26-23-21-7-5-4-6-19(21)20-9-8-17(2)15-22(20)24-23/h4-9,15,18H,3,10-14,16H2,1-2H3

>  <InChI Key>
DVJAHYHYWJWVFF-UHFFFAOYSA-N

