
 CHEMBL457514

 62 65  0  0  0  0  0  0  0  0999 V2000
    8.6427    6.3365    0.1822 C   0  0  0  0  0
    8.0904    5.0594    0.6327 N   0  0  0  0  0
    6.6361    4.9869    0.3978 C   0  0  0  0  0
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    4.5767    2.3050   -3.2230 C   0  0  0  0  0
    3.1650    2.2105   -3.4721 O   0  0  0  0  0
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    1.0538    3.0010   -2.8488 C   0  0  0  0  0
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    1.9401    5.6138   -2.6370 C   0  0  0  0  0
    2.8187    4.6056   -3.0531 C   0  0  0  0  0
   -0.2413    6.3549   -1.8536 N   0  0  0  0  0
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    4.5918    0.6888   -1.4134 O   0  0  0  0  0
    9.7089    6.3956    0.4260 H   0  0  0  0  0
    8.1584    7.1681    0.7056 H   0  0  0  0  0
    8.5323    6.5043   -0.8932 H   0  0  0  0  0
    6.1460    5.8885    0.7879 H   0  0  0  0  0
    6.2344    4.1580    0.9953 H   0  0  0  0  0
    5.1416    4.7048   -1.1444 H   0  0  0  0  0
    6.4772    5.6909   -1.6443 H   0  0  0  0  0
    8.8317    2.8001   -1.8974 H   0  0  0  0  0
    8.7518    4.5261   -2.1199 H   0  0  0  0  0
    8.5158    3.0134    0.5347 H   0  0  0  0  0
    9.8411    4.0284    0.0299 H   0  0  0  0  0
    6.4682    2.1626   -0.2803 H   0  0  0  0  0
    6.9399    1.5454   -1.8420 H   0  0  0  0  0
    4.2084    2.6718   -1.1008 H   0  0  0  0  0
    5.0326    1.4987   -3.8050 H   0  0  0  0  0
    4.9925    3.2350   -3.6146 H   0  0  0  0  0
    0.7000    1.9766   -2.9408 H   0  0  0  0  0
    2.3041    6.6372   -2.6248 H   0  0  0  0  0
    3.8237    4.9006   -3.3343 H   0  0  0  0  0
   -2.2519    6.8539   -1.4011 H   0  0  0  0  0
   -1.9932    6.1600   -2.9880 H   0  0  0  0  0
   -3.1006    4.5341   -1.4495 H   0  0  0  0  0
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    1.7912    5.3353    0.4981 H   0  0  0  0  0
    1.4588    4.3174    2.7022 H   0  0  0  0  0
   -0.4765    4.9756    4.1064 H   0  0  0  0  0
   -2.0816    6.6786    3.2827 H   0  0  0  0  0
   -1.7612    7.7247    1.0710 H   0  0  0  0  0
    3.8403    0.4213   -1.9760 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 29  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
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 29 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL457514

>  <PubChem CID>
44589185

>  <Formula>
C24H33N3O2

>  <Molecular Weight>
395.547000

>  <IUPAC Name>
1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(4-methylpiperazin-1-yl)propan-2-ol

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCN(CC1)CC(COC2=CC3=C(C=C2)N(CCC3)CC4=CC=CC=C4)O

>  <Isomeric SMILES>
CN1CCN(CC1)CC(COC2=CC3=C(C=C2)N(CCC3)CC4=CC=CC=C4)O

>  <InChI Std. ID>
InChI=1S/C24H33N3O2/c1-25-12-14-26(15-13-25)18-22(28)19-29-23-9-10-24-21(16-23)8-5-11-27(24)17-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,28H,5,8,11-15,17-19H2,1H3

>  <InChI Key>
AGACSDFOWHKWCY-UHFFFAOYSA-N

