
 CHEMBL3799025

 63 67  0  0  0  0  0  0  0  0999 V2000
   -0.8199   -1.4959   -3.9601 C   0  0  0  0  0
    0.4126   -0.9600   -3.2596 C   0  0  0  0  0
    0.3513    0.5476   -3.5062 C   0  0  0  0  0
   -1.0404    0.8368   -3.9541 N   0  0  0  0  0
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    0.6955    1.4013   -2.2621 C   0  0  0  0  0
    0.5405    0.9777   -1.1149 O   0  0  0  0  0
    1.1161    2.6959   -2.5003 N   0  0  0  0  0
    1.3211    3.3217   -3.7947 C   0  0  0  0  0
    1.4920    4.8003   -3.4765 C   0  0  0  0  0
    2.1216    4.8124   -2.0678 C   0  0  0  0  0
    1.4345    3.6013   -1.4084 C   0  0  0  0  0
    1.8188    6.1118   -1.3083 C   0  0  0  0  0
    2.5371    7.3166   -1.9162 C   0  0  0  0  0
    3.9762    7.0644   -2.0027 N   0  0  0  0  0
    4.3967    5.8322   -2.6702 C   0  0  0  0  0
    3.6531    4.6201   -2.1009 C   0  0  0  0  0
    4.7082    8.1933   -2.4111 C   0  0  0  0  0
    4.1681    9.4117   -2.2467 N   0  0  0  0  0
    4.8902   10.4734   -2.6379 C   0  0  0  0  0
    6.1313   10.3710   -3.2070 C   0  0  0  0  0
    6.6242    9.0953   -3.3573 C   0  0  0  0  0
    5.9297    8.0204   -2.9494 N   0  0  0  0  0
    7.9042    8.9487   -3.9281 N   0  0  0  0  0
    8.3420    7.5645   -4.0579 C   0  0  0  0  0
    9.6785    7.5372   -4.7672 C   0  0  0  0  0
    9.7935    7.4476   -6.1646 C   0  0  0  0  0
   11.0482    7.4350   -6.7801 C   0  0  0  0  0
   12.1999    7.5267   -6.0032 C   0  0  0  0  0
   12.1100    7.6382   -4.6186 C   0  0  0  0  0
   10.8562    7.6481   -4.0047 C   0  0  0  0  0
   13.7440    7.5130   -6.7609 Cl  0  0  0  0  0
    8.4044    7.3726   -7.1905 Cl  0  0  0  0  0
   -0.6186   -1.6332   -5.0298 H   0  0  0  0  0
   -1.1514   -2.4528   -3.5465 H   0  0  0  0  0
    1.3260   -1.4032   -3.6696 H   0  0  0  0  0
    0.3696   -1.2136   -2.1944 H   0  0  0  0  0
    1.0376    0.7936   -4.3225 H   0  0  0  0  0
   -1.4371    1.5873   -3.3874 H   0  0  0  0  0
   -2.2133   -0.4136   -2.7206 H   0  0  0  0  0
   -2.6620   -0.4455   -4.4403 H   0  0  0  0  0
    2.2297    2.8976   -4.2367 H   0  0  0  0  0
    0.4790    3.1407   -4.4667 H   0  0  0  0  0
    2.0796    5.3138   -4.2423 H   0  0  0  0  0
    0.5023    5.2738   -3.4502 H   0  0  0  0  0
    0.4855    3.8773   -0.9326 H   0  0  0  0  0
    2.0574    3.0962   -0.6620 H   0  0  0  0  0
    0.7397    6.3078   -1.2916 H   0  0  0  0  0
    2.1312    6.0005   -0.2613 H   0  0  0  0  0
    2.1261    7.5360   -2.9102 H   0  0  0  0  0
    2.3213    8.1748   -1.2673 H   0  0  0  0  0
    5.4677    5.6487   -2.5171 H   0  0  0  0  0
    4.2255    5.9033   -3.7512 H   0  0  0  0  0
    3.9292    3.7271   -2.6740 H   0  0  0  0  0
    4.0109    4.4491   -1.0756 H   0  0  0  0  0
    4.4242   11.4394   -2.4728 H   0  0  0  0  0
    6.6921   11.2457   -3.5041 H   0  0  0  0  0
    7.9193    9.4308   -4.8231 H   0  0  0  0  0
    7.6138    6.9489   -4.5985 H   0  0  0  0  0
    8.4593    7.1083   -3.0650 H   0  0  0  0  0
   11.1276    7.3600   -7.8617 H   0  0  0  0  0
   13.0087    7.7221   -4.0124 H   0  0  0  0  0
   10.7960    7.7495   -2.9207 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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 31 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3799025

>  <PubChem CID>
127045976

>  <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]-[(2R)-pyrrolidin-2-yl]methanone

>  <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>
C1C[C@@H](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)/t20-/m1/s1

>  <InChI Key>
FCBVISPGBVZJDX-HXUWFJFHSA-N

