
 CHEMBL91547

 64 67  0  0  0  0  0  0  0  0999 V2000
    9.2449   -3.2123    1.8218 C   0  0  0  0  0
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    4.0904    2.3753   -5.4120 H   0  0  0  0  0
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  1 35  1  0  0  0
  1 36  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
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  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
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  9 10  1  0  0  0
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M  CHG  1  13   1
M  END

>  <Chemical Name>
CHEMBL91547

>  <PubChem CID>
10647512

>  <Formula>
C23H31FN7O2+

>  <Molecular Weight>
456.546000

>  <IUPAC Name>
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(C)C(=O)C1=CN=C2C=CN[N+]2=C1NCCCN3CCN(CC3)C4=C(C=C(C=C4)F)OC

>  <Isomeric SMILES>
CN(C)C(=O)C1=CN=C2C=CN[N+]2=C1NCCCN3CCN(CC3)C4=C(C=C(C=C4)F)OC

>  <InChI Std. ID>
InChI=1S/C23H30FN7O2/c1-28(2)23(32)18-16-26-21-7-9-27-31(21)22(18)25-8-4-10-29-11-13-30(14-12-29)19-6-5-17(24)15-20(19)33-3/h5-7,9,15-16H,4,8,10-14H2,1-3H3,(H,25,26,27,32)/p+1

>  <InChI Key>
LGXAYBNNXNQCIM-UHFFFAOYSA-O

