
 CHEMBL1774599

 45 46  0  0  0  0  0  0  0  0999 V2000
    1.4371    2.3894   -0.1535 C   0  0  0  0  0
    2.0670    1.1903    0.5504 C   0  0  0  0  0
    1.5004    0.9977    1.9554 C   0  0  0  0  0
   -0.0333    0.8832    1.9689 C   0  0  0  0  0
   -0.6379    2.1190    1.2739 C   0  0  0  0  0
   -0.0881    2.3394   -0.1363 C   0  0  0  0  0
   -0.5792   -0.4179    1.3331 C   0  0  0  0  0
   -0.0737   -1.7220    1.9538 C   0  0  0  0  0
   -0.4274   -1.8610    3.3492 N   0  0  0  0  0
   -1.6057   -2.3282    3.8392 C   0  0  0  0  0
   -1.8097   -2.3805    5.0456 O   0  0  0  0  0
   -2.4942   -2.6759    2.8712 O   0  0  0  0  0
   -3.7613   -3.2023    3.2948 C   0  0  0  0  0
   -4.8818   -2.2022    3.0107 C   0  0  0  0  0
   -4.7754   -0.8887    3.7877 C   0  0  0  0  0
   -5.0072   -1.0471    5.2502 C   0  0  0  0  0
   -6.1527   -1.0507    6.0152 C   0  0  0  0  0
   -5.8575   -1.1997    7.3471 N   0  0  0  0  0
   -4.5482   -1.2952    7.4011 C   0  0  0  0  0
   -3.9903   -1.2155    6.1577 N   0  0  0  0  0
    1.7717    3.3119    0.3369 H   0  0  0  0  0
    1.7923    2.4359   -1.1894 H   0  0  0  0  0
    3.1518    1.3361    0.6121 H   0  0  0  0  0
    1.9059    0.2846   -0.0452 H   0  0  0  0  0
    1.9662    0.1280    2.4290 H   0  0  0  0  0
    1.7909    1.8617    2.5682 H   0  0  0  0  0
   -0.3605    0.9032    3.0169 H   0  0  0  0  0
   -1.7306    2.0362    1.2337 H   0  0  0  0  0
   -0.4170    3.0086    1.8784 H   0  0  0  0  0
   -0.4358    1.5421   -0.8031 H   0  0  0  0  0
   -0.4874    3.2763   -0.5416 H   0  0  0  0  0
   -0.3380   -0.4478    0.2654 H   0  0  0  0  0
   -1.6752   -0.3978    1.3989 H   0  0  0  0  0
    1.0147   -1.8016    1.8834 H   0  0  0  0  0
   -0.4928   -2.5694    1.4001 H   0  0  0  0  0
    0.2334   -1.5741    4.0556 H   0  0  0  0  0
   -3.7584   -3.5236    4.3436 H   0  0  0  0  0
   -3.9362   -4.1027    2.6947 H   0  0  0  0  0
   -5.8491   -2.6789    3.2092 H   0  0  0  0  0
   -4.8578   -1.9548    1.9411 H   0  0  0  0  0
   -5.5313   -0.1954    3.3959 H   0  0  0  0  0
   -3.8065   -0.4112    3.6036 H   0  0  0  0  0
   -7.1766   -0.9493    5.6811 H   0  0  0  0  0
   -3.9525   -1.4289    8.2925 H   0  0  0  0  0
   -3.0035   -1.3300    5.9455 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1774599

>  <PubChem CID>
10107667

>  <Formula>
C15H25N3O2

>  <Molecular Weight>
279.384000

>  <IUPAC Name>
3-(1H-imidazol-5-yl)propyl N-(2-cyclohexylethyl)carbamate

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(CC1)CCNC(=O)OCCCC2=CN=CN2

>  <Isomeric SMILES>
C1CCC(CC1)CCNC(=O)OCCCC2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C15H25N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h11-13H,1-10H2,(H,16,18)(H,17,19)

>  <InChI Key>
CUMDGRCUGGUZMS-UHFFFAOYSA-N

