
 CHEMBL343256

 46 49  0  0  0  0  0  0  0  0999 V2000
    1.5500   -3.6125   -0.7679 C   0  0  0  0  0
    2.7627   -2.7747   -0.9020 C   0  0  0  0  0
    2.8763   -1.4673   -1.3261 C   0  0  0  0  0
    4.2189   -1.1906   -1.2683 N   0  0  0  0  0
    4.8646   -2.3151   -0.8051 C   0  0  0  0  0
    3.9969   -3.2810   -0.5782 N   0  0  0  0  0
    6.2108   -2.3236   -0.6522 N   0  0  0  0  0
    6.8586   -1.2427   -0.9703 C   0  0  0  0  0
    6.2615   -0.0915   -1.4484 N   0  0  0  0  0
    4.9819   -0.0773   -1.5894 C   0  0  0  0  0
    4.2510    0.9950   -2.0741 N   0  0  0  0  0
    4.6495    2.2007   -2.6237 C   0  0  0  0  0
    3.7663    2.9404   -3.0622 O   0  0  0  0  0
    6.1308    2.5785   -2.6576 C   0  0  0  0  0
    6.4714    3.5353   -3.8110 C   0  0  0  0  0
    6.1619    5.0023   -3.5345 C   0  0  0  0  0
    6.7406    5.4580   -2.2029 C   0  0  0  0  0
    6.2391    4.5796   -1.0644 C   0  0  0  0  0
    6.5927    3.1110   -1.2931 C   0  0  0  0  0
    8.3502   -1.1861   -0.8302 C   0  0  0  0  0
    9.0640   -0.0482   -1.2331 C   0  0  0  0  0
   10.4517    0.0084   -1.0914 C   0  0  0  0  0
   11.1385   -1.0749   -0.5495 C   0  0  0  0  0
   10.4401   -2.2151   -0.1524 C   0  0  0  0  0
    9.0502   -2.2732   -0.2919 C   0  0  0  0  0
    1.7633   -4.6477   -1.0524 H   0  0  0  0  0
    0.7439   -3.2446   -1.4104 H   0  0  0  0  0
    1.1976   -3.6048    0.2678 H   0  0  0  0  0
    2.1265   -0.7640   -1.6536 H   0  0  0  0  0
    3.2463    0.9110   -2.1386 H   0  0  0  0  0
    6.6825    1.6657   -2.8967 H   0  0  0  0  0
    5.9592    3.2218   -4.7287 H   0  0  0  0  0
    7.5476    3.4493   -4.0144 H   0  0  0  0  0
    6.5739    5.6171   -4.3432 H   0  0  0  0  0
    5.0783    5.1640   -3.5384 H   0  0  0  0  0
    7.8364    5.4202   -2.2437 H   0  0  0  0  0
    6.4634    6.5017   -2.0179 H   0  0  0  0  0
    6.6816    4.9184   -0.1205 H   0  0  0  0  0
    5.1527    4.6895   -0.9641 H   0  0  0  0  0
    7.6831    3.0087   -1.2267 H   0  0  0  0  0
    6.1720    2.5182   -0.4729 H   0  0  0  0  0
    8.5516    0.8054   -1.6633 H   0  0  0  0  0
   10.9933    0.8977   -1.4043 H   0  0  0  0  0
   12.2191   -1.0311   -0.4377 H   0  0  0  0  0
   10.9780   -3.0612    0.2681 H   0  0  0  0  0
    8.5210   -3.1699    0.0240 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
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 24 25  2  0  0  0
 24 45  1  0  0  0
 25 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL343256

>  <PubChem CID>
11823876

>  <Formula>
C19H21N5O

>  <Molecular Weight>
335.411000

>  <IUPAC Name>
N-(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)cyclohexanecarboxamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CN2C(=N1)N=C(N=C2NC(=O)C3CCCCC3)C4=CC=CC=C4

>  <Isomeric SMILES>
CC1=CN2C(=N1)N=C(N=C2NC(=O)C3CCCCC3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C19H21N5O/c1-13-12-24-18(20-13)21-16(14-8-4-2-5-9-14)22-19(24)23-17(25)15-10-6-3-7-11-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,20,21,22,23,25)

>  <InChI Key>
AAZSAJNRFPVZLB-UHFFFAOYSA-N

