
 CHEMBL1771099

 60 64  0  0  0  0  0  0  0  0999 V2000
   -2.3936   -3.4860    3.2192 C   0  0  0  0  0
   -2.1973   -2.1018    2.6804 C   0  0  0  0  0
   -1.8059   -2.4103    4.0976 C   0  0  0  0  0
   -0.4574   -2.5569    4.5468 N   0  0  0  0  0
    0.5947   -1.7512    4.1577 C   0  0  0  0  0
    0.5009   -0.8361    3.3454 O   0  0  0  0  0
    1.9258   -2.0539    4.7566 C   0  0  0  0  0
    2.0835   -2.8573    5.8850 C   0  0  0  0  0
    3.3477   -3.1244    6.4068 C   0  0  0  0  0
    4.4873   -2.5954    5.8001 C   0  0  0  0  0
    4.3451   -1.7814    4.6752 C   0  0  0  0  0
    3.0705   -1.5092    4.1586 C   0  0  0  0  0
    5.6643   -2.9493    6.3974 O   0  0  0  0  0
    6.8675   -2.4716    5.7984 C   0  0  0  0  0
    8.0230   -2.9422    6.6298 C   0  0  0  0  0
    8.8568   -4.1306    6.2148 C   0  0  0  0  0
    9.4334   -2.7404    6.1250 C   0  0  0  0  0
   10.5009   -2.2794    7.0766 C   0  0  0  0  0
   11.8896   -2.8668    6.7554 C   0  0  0  0  0
   12.4101   -2.5101    5.3558 C   0  0  0  0  0
   12.7524   -1.0271    5.2197 C   0  0  0  0  0
   13.6954   -0.6320    6.2647 N   0  0  0  0  0
   13.3208   -0.9384    7.6469 C   0  0  0  0  0
   12.9349   -2.4147    7.7888 C   0  0  0  0  0
   14.2350    0.6463    6.0976 C   0  0  0  0  0
   14.9042    1.2110    7.1205 N   0  0  0  0  0
   15.4654    2.4245    6.9222 C   0  0  0  0  0
   15.3803    3.1164    5.7418 C   0  0  0  0  0
   14.6742    2.4816    4.7547 C   0  0  0  0  0
   14.1042    1.2656    4.9062 N   0  0  0  0  0
   16.0985    4.6495    5.5189 Cl  0  0  0  0  0
    1.0217   -3.4009    6.5007 F   0  0  0  0  0
   -3.4043   -3.8158    3.4237 H   0  0  0  0  0
   -1.7384   -4.2606    2.8373 H   0  0  0  0  0
   -3.0736   -1.4820    2.5281 H   0  0  0  0  0
   -1.4143   -1.9385    1.9498 H   0  0  0  0  0
   -2.4520   -2.0031    4.8716 H   0  0  0  0  0
   -0.2912   -3.2552    5.2655 H   0  0  0  0  0
    3.4390   -3.7526    7.2884 H   0  0  0  0  0
    5.2003   -1.3415    4.1712 H   0  0  0  0  0
    2.9768   -0.8750    3.2781 H   0  0  0  0  0
    6.8743   -1.3754    5.7913 H   0  0  0  0  0
    6.9531   -2.8508    4.7727 H   0  0  0  0  0
    7.8363   -2.8004    7.6889 H   0  0  0  0  0
    8.6172   -4.6393    5.2873 H   0  0  0  0  0
    9.2140   -4.7939    6.9949 H   0  0  0  0  0
    9.5467   -2.3009    5.1398 H   0  0  0  0  0
   10.2303   -2.5662    8.1013 H   0  0  0  0  0
   10.5197   -1.1844    7.0625 H   0  0  0  0  0
   11.8095   -3.9604    6.8131 H   0  0  0  0  0
   11.6942   -2.8001    4.5801 H   0  0  0  0  0
   13.3180   -3.0981    5.1635 H   0  0  0  0  0
   13.1877   -0.8927    4.2212 H   0  0  0  0  0
   11.8411   -0.4181    5.2705 H   0  0  0  0  0
   14.1545   -0.7602    8.3373 H   0  0  0  0  0
   12.4881   -0.2988    7.9645 H   0  0  0  0  0
   13.8387   -3.0253    7.6596 H   0  0  0  0  0
   12.5746   -2.6048    8.8067 H   0  0  0  0  0
   16.0037    2.8249    7.7760 H   0  0  0  0  0
   14.5362    2.9318    3.7761 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 40  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 16 46  1  0  0  0
 17 18  1  0  0  0
 17 47  1  0  0  0
 18 19  1  0  0  0
 18 48  1  0  0  0
 18 49  1  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 19 50  1  0  0  0
 20 21  1  0  0  0
 20 51  1  0  0  0
 20 52  1  0  0  0
 21 22  1  0  0  0
 21 53  1  0  0  0
 21 54  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  1  0  0  0
 23 55  1  0  0  0
 23 56  1  0  0  0
 24 57  1  0  0  0
 24 58  1  0  0  0
 25 30  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 59  1  0  0  0
 28 29  1  0  0  0
 28 31  1  0  0  0
 29 30  2  0  0  0
 29 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1771099

>  <PubChem CID>
54581962

>  <Formula>
C24H28ClFN4O2

>  <Molecular Weight>
458.962000

>  <IUPAC Name>
4-[[2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methyl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1NC(=O)C2=C(C=C(C=C2)OCC3CC3CC4CCN(CC4)C5=NC=C(C=N5)Cl)F

>  <Isomeric SMILES>
C1CC1NC(=O)C2=C(C=C(C=C2)OCC3CC3CC4CCN(CC4)C5=NC=C(C=N5)Cl)F

>  <InChI Std. ID>
InChI=1S/C24H28ClFN4O2/c25-18-12-27-24(28-13-18)30-7-5-15(6-8-30)9-16-10-17(16)14-32-20-3-4-21(22(26)11-20)23(31)29-19-1-2-19/h3-4,11-13,15-17,19H,1-2,5-10,14H2,(H,29,31)

>  <InChI Key>
HGXIXRDSWVTXLX-UHFFFAOYSA-N

