
 CHEMBL214996

 56 59  0  0  0  0  0  0  0  0999 V2000
    3.7157   -0.1553    0.7011 C   0  0  0  0  0
    4.5565   -0.9046   -0.3434 C   0  0  0  0  0
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    4.3167    0.6080    1.2091 H   0  0  0  0  0
    3.3565   -0.8492    1.4696 H   0  0  0  0  0
    2.8410    0.3349    0.2635 H   0  0  0  0  0
    5.3294   -1.4299    0.2350 H   0  0  0  0  0
    3.1288   -2.5419   -0.3182 H   0  0  0  0  0
    4.3834   -2.7100   -1.5496 H   0  0  0  0  0
    4.1822   -0.9890   -3.6746 H   0  0  0  0  0
    2.7362    0.0391   -3.6377 H   0  0  0  0  0
    4.7794    1.2700   -2.9276 H   0  0  0  0  0
    3.5470    1.2509   -1.6979 H   0  0  0  0  0
    7.1295   -0.8465   -1.1674 H   0  0  0  0  0
    6.8801    0.2017   -2.5526 H   0  0  0  0  0
    6.1252   -1.4018   -2.5160 H   0  0  0  0  0
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   -1.7573   -4.1220   -6.1833 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 30  1  0  0  0
  1 31  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 32  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  9  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
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  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL214996

>  <PubChem CID>
10045088

>  <Formula>
C23H28N4O

>  <Molecular Weight>
376.504000

>  <IUPAC Name>
[4-[4-(3,4-dimethylpiperazin-1-yl)anilino]-2-methylquinolin-3-yl]methanol

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CN(CCN1C)C2=CC=C(C=C2)NC3=C(C(=NC4=CC=CC=C43)C)CO

>  <Isomeric SMILES>
CC1CN(CCN1C)C2=CC=C(C=C2)NC3=C(C(=NC4=CC=CC=C43)C)CO

>  <InChI Std. ID>
InChI=1S/C23H28N4O/c1-16-14-27(13-12-26(16)3)19-10-8-18(9-11-19)25-23-20-6-4-5-7-22(20)24-17(2)21(23)15-28/h4-11,16,28H,12-15H2,1-3H3,(H,24,25)

>  <InChI Key>
BSEZBDDBKUJHQP-UHFFFAOYSA-N

