
 CHEMBL3798263

 63 67  0  0  0  0  0  0  0  0999 V2000
   -1.9384    0.5251    0.4965 C   0  0  0  0  0
   -1.3734    1.6441   -0.3562 C   0  0  0  0  0
    0.0408    1.1784   -0.6882 C   0  0  0  0  0
    0.0925   -0.2721   -0.3617 N   0  0  0  0  0
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    0.3979    1.4189   -2.1710 C   0  0  0  0  0
    0.3852    0.4940   -2.9889 O   0  0  0  0  0
    0.7209    2.7083   -2.5415 N   0  0  0  0  0
    1.0578    3.0302   -3.9151 C   0  0  0  0  0
    1.1490    4.5508   -3.9397 C   0  0  0  0  0
    1.6041    4.9188   -2.5115 C   0  0  0  0  0
    0.8603    3.8656   -1.6698 C   0  0  0  0  0
    1.1893    6.3381   -2.1032 C   0  0  0  0  0
    1.9709    7.4137   -2.8550 C   0  0  0  0  0
    3.4115    7.2039   -2.6999 N   0  0  0  0  0
    3.9227    5.8779   -3.0511 C   0  0  0  0  0
    3.1320    4.7841   -2.3259 C   0  0  0  0  0
    4.1673    8.2508   -3.2601 C   0  0  0  0  0
    3.6014    9.4645   -3.3686 N   0  0  0  0  0
    4.3213   10.4402   -3.9405 C   0  0  0  0  0
    5.5953   10.2611   -4.4112 C   0  0  0  0  0
    6.1283    9.0063   -4.2390 C   0  0  0  0  0
    5.4264    8.0121   -3.6733 N   0  0  0  0  0
    7.3896    8.6508   -4.7058 N   0  0  0  0  0
    8.4785    9.5952   -4.5295 C   0  0  0  0  0
    9.7764    8.9449   -4.9551 C   0  0  0  0  0
   10.7110    8.4299   -4.0422 C   0  0  0  0  0
   11.8905    7.8270   -4.4906 C   0  0  0  0  0
   12.1414    7.7251   -5.8559 C   0  0  0  0  0
   11.2241    8.2157   -6.7799 C   0  0  0  0  0
   10.0471    8.8185   -6.3321 C   0  0  0  0  0
   13.5919    6.9808   -6.4050 Cl  0  0  0  0  0
   10.4581    8.4998   -2.3348 Cl  0  0  0  0  0
   -1.6420    0.6626    1.5437 H   0  0  0  0  0
   -3.0302    0.4767    0.4519 H   0  0  0  0  0
   -1.3832    2.5968    0.1822 H   0  0  0  0  0
   -1.9804    1.7619   -1.2626 H   0  0  0  0  0
    0.7802    1.6672   -0.0483 H   0  0  0  0  0
    0.4425   -0.7711   -1.1875 H   0  0  0  0  0
   -1.7738   -1.0051   -1.0166 H   0  0  0  0  0
   -1.2946   -1.5494    0.6067 H   0  0  0  0  0
    2.0191    2.5614   -4.1517 H   0  0  0  0  0
    0.2992    2.6422   -4.6020 H   0  0  0  0  0
    1.8127    4.9054   -4.7329 H   0  0  0  0  0
    0.1518    4.9656   -4.1361 H   0  0  0  0  0
   -0.1524    4.1939   -1.4098 H   0  0  0  0  0
    1.3903    3.6057   -0.7499 H   0  0  0  0  0
    0.1159    6.4911   -2.2703 H   0  0  0  0  0
    1.3570    6.4659   -1.0250 H   0  0  0  0  0
    1.6934    7.4040   -3.9171 H   0  0  0  0  0
    1.6603    8.3788   -2.4348 H   0  0  0  0  0
    4.9717    5.7693   -2.7465 H   0  0  0  0  0
    3.8731    5.7199   -4.1357 H   0  0  0  0  0
    3.4885    3.8026   -2.6602 H   0  0  0  0  0
    3.3659    4.8461   -1.2540 H   0  0  0  0  0
    3.8204   11.3993   -4.0230 H   0  0  0  0  0
    6.1237   11.0668   -4.8962 H   0  0  0  0  0
    7.5780    7.7241   -4.3263 H   0  0  0  0  0
    8.5266    9.9644   -3.4998 H   0  0  0  0  0
    8.3264   10.4785   -5.1636 H   0  0  0  0  0
   12.6090    7.4330   -3.7764 H   0  0  0  0  0
   11.4141    8.1270   -7.8468 H   0  0  0  0  0
    9.3276    9.1839   -7.0641 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
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 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 33  1  0  0  0
 28 29  2  0  0  0
 28 61  1  0  0  0
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 31 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3798263

>  <PubChem CID>
127045975

>  <Formula>
C24H30Cl2N6O

>  <Molecular Weight>
489.445000

>  <IUPAC Name>
[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrrolidin-2-ylmethanone

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(NC1)C(=O)N2CCC3(C2)CCN(CC3)C4=NC=CC(=N4)NCC5=C(C=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
C1CC(NC1)C(=O)N2CCC3(C2)CCN(CC3)C4=NC=CC(=N4)NCC5=C(C=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C24H30Cl2N6O/c25-18-4-3-17(19(26)14-18)15-29-21-5-10-28-23(30-21)31-11-6-24(7-12-31)8-13-32(16-24)22(33)20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-16H2,(H,28,29,30)

>  <InChI Key>
FCBVISPGBVZJDX-UHFFFAOYSA-N

