
 CHEMBL2397476

 58 60  0  0  0  0  0  0  0  0999 V2000
    5.2461    4.5770   -1.0703 C   0  0  0  0  0
    4.7024    3.1606   -1.2061 C   0  0  0  0  0
    4.8095    2.3971    0.1252 C   0  0  0  0  0
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    2.3518   -3.2906   -4.0563 C   0  0  0  0  0
    2.9948   -2.9182   -5.0334 O   0  0  0  0  0
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    0.0467   -4.0450   -3.1143 C   0  0  0  0  0
    4.3204    0.3742    1.4713 C   0  0  0  0  0
    3.5790    1.1749    2.5651 C   0  0  0  0  0
    3.5340    0.4050    3.8885 C   0  0  0  0  0
    4.8870   -0.1097    4.3057 C   0  0  0  0  0
    5.8790   -0.2820    3.4158 C   0  0  0  0  0
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    5.3657   -0.5389    6.8537 C   0  0  0  0  0
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    6.2994    4.5619   -0.7706 H   0  0  0  0  0
    4.6839    5.1469   -0.3244 H   0  0  0  0  0
    5.2828    2.6649   -1.9909 H   0  0  0  0  0
    3.6575    3.2005   -1.5342 H   0  0  0  0  0
    4.2801    3.0080    0.8632 H   0  0  0  0  0
    5.8648    2.3763    0.4182 H   0  0  0  0  0
    5.8913    0.1658   -0.8842 H   0  0  0  0  0
    4.5678    0.7093   -1.9128 H   0  0  0  0  0
    3.1429   -1.1817   -1.1438 H   0  0  0  0  0
    4.5352   -1.8379   -0.2688 H   0  0  0  0  0
    5.8718   -1.7980   -2.3983 H   0  0  0  0  0
    4.4474   -1.2380   -3.2719 H   0  0  0  0  0
    4.6295   -3.8910   -1.7326 H   0  0  0  0  0
    4.8801   -3.7064   -3.4737 H   0  0  0  0  0
    2.3733   -3.7317   -2.0226 H   0  0  0  0  0
    1.3092   -2.9458   -6.9746 H   0  0  0  0  0
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    4.0774    2.1333    2.7543 H   0  0  0  0  0
    2.8435   -0.4433    3.8038 H   0  0  0  0  0
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    6.8554   -0.6260    3.7519 H   0  0  0  0  0
    6.4557    0.8217    1.7304 H   0  0  0  0  0
    6.1076   -0.8651    1.3885 H   0  0  0  0  0
    5.5706   -0.6841    7.8876 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  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4 21  1  0  0  0
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  6  7  1  0  0  0
  6 38  1  0  0  0
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  7  8  1  0  0  0
  7 40  1  0  0  0
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  8  9  1  0  0  0
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  9 10  1  0  0  0
  9 44  1  0  0  0
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 28 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2397476

>  <PubChem CID>
71734127

>  <Formula>
C23H30N4O

>  <Molecular Weight>
378.520000

>  <IUPAC Name>
N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCCCNC(=O)C1=C2C=CC=CN2N=C1)C3CCC(=CC3)C#C

>  <Isomeric SMILES>
CCCN(CCCCNC(=O)C1=C2C=CC=CN2N=C1)[C@H]3CCC(=CC3)C#C

>  <InChI Std. ID>
InChI=1S/C23H30N4O/c1-3-15-26(20-12-10-19(4-2)11-13-20)16-8-6-14-24-23(28)21-18-25-27-17-7-5-9-22(21)27/h2,5,7,9-10,17-18,20H,3,6,8,11-16H2,1H3,(H,24,28)/t20-/m1/s1

>  <InChI Key>
IDKIRFAIRCIGSS-HXUWFJFHSA-N

