
 CHEMBL377120

 68 69  0  0  0  0  0  0  0  0999 V2000
    2.7506    4.9341   -8.5558 C   0  0  0  0  0
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    5.1953   10.5870   -0.0596 H   0  0  0  0  0
    4.0234   10.5952   -2.8845 H   0  0  0  0  0
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    2.4360   11.5342   -0.9589 H   0  0  0  0  0
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   13.0251    7.6978    0.2040 H   0  0  0  0  0
   13.7991    7.3742    1.7739 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 33  1  0  0  0
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 31 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL377120

>  <PubChem CID>
44410826

>  <Formula>
C24H37N5O2

>  <Molecular Weight>
427.593000

>  <IUPAC Name>
(2S)-2-[(6-butyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCC1=CC(=NC(=N1)C2=CC=NC=C2)NC(CC(C)C)C(=O)NCCCOCC

>  <Isomeric SMILES>
CCCCC1=CC(=NC(=N1)C2=CC=NC=C2)N[C@@H](CC(C)C)C(=O)NCCCOCC

>  <InChI Std. ID>
InChI=1S/C24H37N5O2/c1-5-7-9-20-17-22(29-23(27-20)19-10-13-25-14-11-19)28-21(16-18(3)4)24(30)26-12-8-15-31-6-2/h10-11,13-14,17-18,21H,5-9,12,15-16H2,1-4H3,(H,26,30)(H,27,28,29)/t21-/m0/s1

>  <InChI Key>
BRATTWZIZIVAAP-NRFANRHFSA-N

