
 CHEMBL197195

 51 53  0  0  0  0  0  0  0  0999 V2000
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    2.0334    1.2895    2.2928 C   0  0  0  0  0
    1.8825    1.0738    3.8042 C   0  0  0  0  0
    0.4283    0.9950    4.2617 C   0  0  0  0  0
    0.3306    0.7720    5.6859 N   0  0  0  0  0
    0.3949   -0.4824    6.2558 C   0  0  0  0  0
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    0.2281   -0.4922    7.7445 C   0  0  0  0  0
    0.0823    0.7242    8.3362 N   0  0  0  0  0
   -0.0848    0.7090    9.6726 C   0  0  0  0  0
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    5.0141   -6.6599   -2.7143 Cl  0  0  0  0  0
    3.3671   -3.9417   -3.1556 Cl  0  0  0  0  0
    1.1421   -0.7988   -1.7324 H   0  0  0  0  0
    0.1641   -1.2004   -0.3414 H   0  0  0  0  0
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    5.0462   -2.7775    1.3163 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL197195

>  <PubChem CID>
44403224

>  <Formula>
C20H23Cl2FN4O

>  <Molecular Weight>
425.329000

>  <IUPAC Name>
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoropyridine-2-carboxamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CCCCNC(=O)C2=NC(=CC=C2)F)C3=C(C(=CC=C3)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCCNC(=O)C2=NC(=CC=C2)F)C3=C(C(=CC=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C20H23Cl2FN4O/c21-15-5-3-7-17(19(15)22)27-13-11-26(12-14-27)10-2-1-9-24-20(28)16-6-4-8-18(23)25-16/h3-8H,1-2,9-14H2,(H,24,28)

>  <InChI Key>
HZYGVALVFFNNGE-UHFFFAOYSA-N

