
 CHEMBL3966709

 63 66  0  0  0  0  0  0  0  0999 V2000
    2.6461   -0.0854    0.8368 C   0  0  0  0  0
    3.4749    0.8531    1.7221 C   0  0  0  0  0
    2.5754    1.3691    2.8560 C   0  0  0  0  0
    4.6874    0.1449    2.3346 C   0  0  0  0  0
    3.8925    2.0477    1.0191 O   0  0  0  0  0
    4.6615    1.9743   -0.1031 C   0  0  0  0  0
    5.0187    0.9297   -0.6298 O   0  0  0  0  0
    4.9925    3.2345   -0.5834 N   0  0  0  0  0
    5.5773    3.3307   -1.9088 C   0  0  0  0  0
    6.4477    4.5677   -2.1465 C   0  0  0  0  0
    6.4191    5.6188   -1.0145 C   0  0  0  0  0
    4.9366    5.7218   -0.6034 C   0  0  0  0  0
    4.4539    4.4342    0.0409 C   0  0  0  0  0
    7.3728    5.4202    0.1243 N   0  0  0  0  0
    8.5013    4.5238   -0.0752 C   0  0  0  0  0
    9.4781    4.7007   -1.2209 C   0  0  0  0  0
    9.9450    4.9211    0.1709 C   0  0  0  0  0
    7.2999    6.3341    1.2019 C   0  0  0  0  0
    6.5171    7.2867    1.2118 O   0  0  0  0  0
    8.2102    6.2350    2.3808 C   0  0  0  0  0
    8.6648    7.4410    2.9354 C   0  0  0  0  0
    9.5850    7.4416    3.9829 C   0  0  0  0  0
   10.0773    6.2368    4.4975 C   0  0  0  0  0
    9.5629    5.0323    3.9992 C   0  0  0  0  0
    8.6201    5.0292    2.9584 C   0  0  0  0  0
   11.1038    6.2671    5.5371 C   0  0  0  0  0
   11.1531    6.9839    6.7218 C   0  0  0  0  0
   12.3267    6.7750    7.3956 N   0  0  0  0  0
   13.0113    5.9543    6.6341 C   0  0  0  0  0
   12.3265    5.6301    5.4970 N   0  0  0  0  0
   12.8605    4.8196    4.4311 C   0  0  0  0  0
    3.2500   -0.5626    0.0601 H   0  0  0  0  0
    1.8486    0.4647    0.3246 H   0  0  0  0  0
    2.1904   -0.8879    1.4281 H   0  0  0  0  0
    1.7051    1.8989    2.4498 H   0  0  0  0  0
    3.1115    2.0910    3.4819 H   0  0  0  0  0
    2.2167    0.5549    3.4938 H   0  0  0  0  0
    5.3476   -0.2669    1.5647 H   0  0  0  0  0
    4.3821   -0.6793    2.9873 H   0  0  0  0  0
    5.2911    0.8488    2.9183 H   0  0  0  0  0
    4.7423    3.3307   -2.6207 H   0  0  0  0  0
    6.1632    2.4304   -2.1281 H   0  0  0  0  0
    7.4505    4.2517   -2.4322 H   0  0  0  0  0
    6.0656    5.0526   -3.0569 H   0  0  0  0  0
    6.7145    6.5821   -1.4515 H   0  0  0  0  0
    4.7159    6.5655    0.0535 H   0  0  0  0  0
    4.3386    5.9106   -1.5069 H   0  0  0  0  0
    4.7363    4.4144    1.1001 H   0  0  0  0  0
    3.3584    4.3865   -0.0023 H   0  0  0  0  0
    8.2344    3.4962    0.1638 H   0  0  0  0  0
    9.3906    5.5734   -1.8568 H   0  0  0  0  0
    9.8195    3.8083   -1.7349 H   0  0  0  0  0
   10.6015    4.1785    0.6111 H   0  0  0  0  0
   10.1939    5.9407    0.4360 H   0  0  0  0  0
    8.3114    8.3905    2.5390 H   0  0  0  0  0
    9.9355    8.3952    4.3771 H   0  0  0  0  0
    9.8902    4.0826    4.4152 H   0  0  0  0  0
    8.2316    4.0811    2.5969 H   0  0  0  0  0
   10.3960    7.6487    7.1197 H   0  0  0  0  0
   14.0052    5.5790    6.8525 H   0  0  0  0  0
   12.6125    5.2747    3.4693 H   0  0  0  0  0
   12.4315    3.8181    4.5116 H   0  0  0  0  0
   13.9495    4.7634    4.5282 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 12 47  1  0  0  0
 13 48  1  0  0  0
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 14 18  1  0  0  0
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 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
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 22 23  2  0  0  0
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 23 24  1  0  0  0
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 24 57  1  0  0  0
 25 58  1  0  0  0
 26 27  2  0  0  0
 26 30  1  0  0  0
 27 28  1  0  0  0
 27 59  1  0  0  0
 28 29  2  0  0  0
 29 30  1  0  0  0
 29 60  1  0  0  0
 30 31  1  0  0  0
 31 61  1  0  0  0
 31 62  1  0  0  0
 31 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3966709

>  <PubChem CID>
89995652

>  <Formula>
C24H32N4O3

>  <Molecular Weight>
424.545000

>  <IUPAC Name>
tert-butyl 4-[cyclopropyl-[4-(3-methylimidazol-4-yl)benzoyl]amino]piperidine-1-carboxylate

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)C3=CC=C(C=C3)C4=CN=CN4C

>  <Isomeric SMILES>
CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)C3=CC=C(C=C3)C4=CN=CN4C

>  <InChI Std. ID>
InChI=1S/C24H32N4O3/c1-24(2,3)31-23(30)27-13-11-20(12-14-27)28(19-9-10-19)22(29)18-7-5-17(6-8-18)21-15-25-16-26(21)4/h5-8,15-16,19-20H,9-14H2,1-4H3

>  <InChI Key>
BCHGUZHBMYZIGP-UHFFFAOYSA-N

