
 CHEMBL385508

 56 59  0  0  0  0  0  0  0  0999 V2000
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    2.5709    2.6615    0.0172 H   0  0  0  0  0
    6.7215   -3.0956    0.4894 H   0  0  0  0  0
    4.6496   -4.0566   -0.0469 H   0  0  0  0  0
    3.2410   -3.0645   -0.2949 H   0  0  0  0  0
    3.1856   -2.6827    2.2835 H   0  0  0  0  0
    4.5842   -3.7297    2.3842 H   0  0  0  0  0
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    9.0515    0.6952    0.2735 H   0  0  0  0  0
   11.1615   -1.0972    1.2224 H   0  0  0  0  0
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   12.2018    1.8171   -1.1363 H   0  0  0  0  0
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  1  2  1  0  0  0
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  1 31  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 12  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL385508

>  <PubChem CID>
10091426

>  <Formula>
C21H28N4O3

>  <Molecular Weight>
384.480000

>  <IUPAC Name>
N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide

>  <XlogP>
1.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(C=C1)C(=O)C(=CN2CCN3CCOCC3)C(=O)NC4CCCC4

>  <Isomeric SMILES>
CC1=NC2=C(C=C1)C(=O)C(=CN2CCN3CCOCC3)C(=O)NC4CCCC4

>  <InChI Std. ID>
InChI=1S/C21H28N4O3/c1-15-6-7-17-19(26)18(21(27)23-16-4-2-3-5-16)14-25(20(17)22-15)9-8-24-10-12-28-13-11-24/h6-7,14,16H,2-5,8-13H2,1H3,(H,23,27)

>  <InChI Key>
BNHUMMLUSHLSRT-UHFFFAOYSA-N

