
 CHEMBL1784181

 55 57  0  0  0  0  0  0  0  0999 V2000
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    2.2722   -0.3275    1.6256 H   0  0  0  0  0
    3.2015   -1.2681   -1.1541 H   0  0  0  0  0
    4.2234   -1.2187    0.2716 H   0  0  0  0  0
    3.1991    0.5070   -2.5214 H   0  0  0  0  0
    3.6950    2.1031   -2.0353 H   0  0  0  0  0
    0.9943    0.7635   -1.6385 H   0  0  0  0  0
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    5.8342    8.9967   -1.4942 H   0  0  0  0  0
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    8.6240   15.0063    3.1725 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1784181

>  <PubChem CID>
54585884

>  <Formula>
C21H26ClN5O2

>  <Molecular Weight>
415.922000

>  <IUPAC Name>
4-[3-chloro-5-(diethylcarbamoyl)pyridin-2-yl]-N-phenylpiperazine-1-carboxamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN(CC)C(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3)Cl

>  <Isomeric SMILES>
CCN(CC)C(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C21H26ClN5O2/c1-3-25(4-2)20(28)16-14-18(22)19(23-15-16)26-10-12-27(13-11-26)21(29)24-17-8-6-5-7-9-17/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,29)

>  <InChI Key>
BQGYFJNJYSBKHG-UHFFFAOYSA-N

