
 CHEMBL1087911

 63 66  0  0  0  0  0  0  0  0999 V2000
    2.9631   -0.7786    3.3742 C   0  0  0  0  0
    3.9031   -1.1655    4.4313 N   0  0  0  0  0
    3.1536   -1.5687    5.6229 C   0  0  0  0  0
    4.8026   -2.2556    4.0006 C   0  0  0  0  0
    5.8922   -1.8613    3.0175 C   0  0  0  0  0
    6.6435   -2.8591    2.3757 C   0  0  0  0  0
    7.6577   -2.5276    1.4646 C   0  0  0  0  0
    7.9479   -1.1900    1.1788 C   0  0  0  0  0
    7.2217   -0.1990    1.8372 C   0  0  0  0  0
    6.2233   -0.5286    2.7579 C   0  0  0  0  0
    8.9612   -0.9089    0.2389 N   0  0  0  0  0
    9.4558    0.3426   -0.0879 C   0  0  0  0  0
    9.1111    1.4174    0.3878 O   0  0  0  0  0
   10.5462    0.3370   -1.1085 C   0  0  0  0  0
   11.2635    1.5012   -1.3001 C   0  0  0  0  0
   12.2667    1.4842   -2.2420 C   0  0  0  0  0
   12.4796    0.3687   -2.9536 N   0  0  0  0  0
   11.7317   -0.7185   -2.6914 C   0  0  0  0  0
   10.7666   -0.8145   -1.7748 N   0  0  0  0  0
   13.0459    2.6103   -2.4516 N   0  0  0  0  0
   13.6140    3.2725   -1.2701 C   0  0  0  0  0
   13.0945    4.6822   -1.1595 C   0  0  0  0  0
   12.0876    5.0799   -0.1078 C   0  0  0  0  0
   13.5128    5.5409    0.0092 C   0  0  0  0  0
   13.6545    2.9408   -3.7577 C   0  0  0  0  0
   14.7181    1.9556   -4.2647 C   0  0  0  0  0
   14.2920    0.9906   -5.3723 C   0  0  0  0  0
   13.3548    1.6151   -6.3957 C   0  0  0  0  0
   12.1509    2.2626   -5.7289 C   0  0  0  0  0
   12.5887    3.3657   -4.7784 C   0  0  0  0  0
    3.4779   -0.4402    2.4698 H   0  0  0  0  0
    2.3524    0.0687    3.7080 H   0  0  0  0  0
    2.2915   -1.5979    3.0958 H   0  0  0  0  0
    2.5330   -0.7407    5.9841 H   0  0  0  0  0
    3.8335   -1.8269    6.4423 H   0  0  0  0  0
    2.5029   -2.4293    5.4293 H   0  0  0  0  0
    4.2144   -3.0805    3.5765 H   0  0  0  0  0
    5.3301   -2.6499    4.8797 H   0  0  0  0  0
    6.4459   -3.9084    2.5859 H   0  0  0  0  0
    8.2193   -3.3295    0.9929 H   0  0  0  0  0
    7.3917    0.8573    1.6579 H   0  0  0  0  0
    5.6960    0.2807    3.2586 H   0  0  0  0  0
    9.4019   -1.6889   -0.2390 H   0  0  0  0  0
   11.0271    2.3956   -0.7407 H   0  0  0  0  0
   11.9397   -1.6009   -3.2880 H   0  0  0  0  0
   14.7066    3.3035   -1.3662 H   0  0  0  0  0
   13.4214    2.7172   -0.3428 H   0  0  0  0  0
   13.0357    5.1818   -2.1197 H   0  0  0  0  0
   11.7384    4.3399    0.6027 H   0  0  0  0  0
   11.3366    5.8128   -0.3824 H   0  0  0  0  0
   13.7268    6.5864   -0.1838 H   0  0  0  0  0
   14.1231    5.1022    0.7903 H   0  0  0  0  0
   14.2220    3.8658   -3.5768 H   0  0  0  0  0
   15.1679    1.3967   -3.4353 H   0  0  0  0  0
   15.5358    2.5588   -4.6849 H   0  0  0  0  0
   15.1883    0.6196   -5.8845 H   0  0  0  0  0
   13.8171    0.1038   -4.9450 H   0  0  0  0  0
   13.8987    2.3648   -6.9832 H   0  0  0  0  0
   13.0152    0.8454   -7.0979 H   0  0  0  0  0
   11.4945    2.6894   -6.4963 H   0  0  0  0  0
   11.5593    1.5103   -5.1979 H   0  0  0  0  0
   13.0098    4.1779   -5.3874 H   0  0  0  0  0
   11.7121    3.7931   -4.2761 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 41  1  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
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 18 45  1  0  0  0
 20 25  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
 22 24  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 25 30  1  0  0  0
 25 26  1  0  0  0
 25 53  1  0  0  0
 26 27  1  0  0  0
 26 54  1  0  0  0
 26 55  1  0  0  0
 27 28  1  0  0  0
 27 56  1  0  0  0
 27 57  1  0  0  0
 28 29  1  0  0  0
 28 58  1  0  0  0
 28 59  1  0  0  0
 29 30  1  0  0  0
 29 60  1  0  0  0
 29 61  1  0  0  0
 30 62  1  0  0  0
 30 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1087911

>  <PubChem CID>
25182921

>  <Formula>
C24H33N5O

>  <Molecular Weight>
407.562000

>  <IUPAC Name>
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)CC1=CC=C(C=C1)NC(=O)C2=CC(=NC=N2)N(CC3CC3)C4CCCCC4

>  <Isomeric SMILES>
CN(C)CC1=CC=C(C=C1)NC(=O)C2=CC(=NC=N2)N(CC3CC3)C4CCCCC4

>  <InChI Std. ID>
InChI=1S/C24H33N5O/c1-28(2)15-18-10-12-20(13-11-18)27-24(30)22-14-23(26-17-25-22)29(16-19-8-9-19)21-6-4-3-5-7-21/h10-14,17,19,21H,3-9,15-16H2,1-2H3,(H,27,30)

>  <InChI Key>
ATFKFGZTHOJXBN-UHFFFAOYSA-N

