
 CHEMBL1289400

 57 60  0  0  0  0  0  0  0  0999 V2000
    3.1936    2.8164   -1.8564 C   0  0  0  0  0
    4.6581    2.7697   -1.8746 N   0  0  0  0  0
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    5.5379   -2.3301   -0.2706 N   0  0  0  0  0
    5.5461    0.5156    1.0033 O   0  0  0  0  0
    2.8067    3.4237   -1.0306 H   0  0  0  0  0
    2.7701    1.8112   -1.7772 H   0  0  0  0  0
    2.8117    3.2318   -2.7964 H   0  0  0  0  0
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    4.8770    4.8364   -1.3711 H   0  0  0  0  0
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    3.8118    0.7026   -0.0550 H   0  0  0  0  0
    6.4388   -0.2436   -1.3670 H   0  0  0  0  0
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    5.0744   -4.2278    0.4624 H   0  0  0  0  0
    5.5740   -0.4594    1.1000 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 34  1  0  0  0
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  2  3  1  0  0  0
  3 35  1  0  0  0
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  6 41  1  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1289400

>  <PubChem CID>
52941526

>  <Formula>
C24H26N4O3

>  <Molecular Weight>
418.497000

>  <IUPAC Name>
1-[1-[3-(dimethylamino)-2-hydroxypropyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)CC(CN1C2=C(C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=CC=C4)C=N1)O

>  <Isomeric SMILES>
CN(C)CC(CN1C2=C(C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=CC=C4)C=N1)O

>  <InChI Std. ID>
InChI=1S/C24H26N4O3/c1-26(2)15-21(29)16-28-23-9-8-20(12-19(23)14-25-28)27-11-10-22(13-24(27)30)31-17-18-6-4-3-5-7-18/h3-14,21,29H,15-17H2,1-2H3

>  <InChI Key>
ANELXFZEUXIIJD-UHFFFAOYSA-N

