
 CHEMBL249212

 62 65  0  0  0  0  0  0  0  0999 V2000
    3.2889    0.7376    2.8573 C   0  0  0  0  0
    3.5498    0.3339    1.4161 C   0  0  0  0  0
    3.7845    1.5298    0.5301 C   0  0  0  0  0
    2.7562    2.1665   -0.1875 C   0  0  0  0  0
    3.0588    3.2296   -0.9525 N   0  0  0  0  0
    4.3432    3.6953   -0.9488 C   0  0  0  0  0
    5.3596    3.0806   -0.1991 C   0  0  0  0  0
    5.0752    1.9620    0.5052 N   0  0  0  0  0
    6.6766    3.5466   -0.1116 N   0  0  0  0  0
    7.6663    2.5842   -0.5868 C   0  0  0  0  0
    7.1539    4.8440    0.1293 C   0  0  0  0  0
    6.5508    5.7302    1.0497 C   0  0  0  0  0
    7.0936    7.0053    1.2479 C   0  0  0  0  0
    8.2231    7.3813    0.5420 C   0  0  0  0  0
    8.7752    6.4700   -0.3361 C   0  0  0  0  0
    8.2729    5.2290   -0.5489 N   0  0  0  0  0
    8.9233    8.9296    0.7650 Cl  0  0  0  0  0
    5.1916    5.3197    2.0397 Cl  0  0  0  0  0
    4.5782    4.8520   -1.8841 C   0  0  0  0  0
    5.2285    4.4165   -3.1879 C   0  0  0  0  0
    1.4295    1.7504   -0.0517 N   0  0  0  0  0
    0.3562    2.2931   -0.8902 C   0  0  0  0  0
    0.0601    3.8308   -0.8931 C   0  0  0  0  0
    0.3352    4.3269   -2.3370 C   0  0  0  0  0
    0.4353    3.0756   -3.1490 C   0  0  0  0  0
    0.5141    2.9828   -4.5318 C   0  0  0  0  0
    0.6559    1.7178   -5.1062 C   0  0  0  0  0
    0.7187    0.5730   -4.3027 C   0  0  0  0  0
    0.6339    0.6764   -2.9123 C   0  0  0  0  0
    0.4915    1.9380   -2.3466 C   0  0  0  0  0
    0.7631    4.5758    0.1054 O   0  0  0  0  0
    0.3817    5.9453    0.1835 C   0  0  0  0  0
    1.3880    6.7002    1.0336 C   0  0  0  0  0
    1.0236    8.0099    1.0983 F   0  0  0  0  0
    3.1420   -0.1510    3.4771 H   0  0  0  0  0
    2.3963    1.3639    2.9408 H   0  0  0  0  0
    4.1353    1.2991    3.2686 H   0  0  0  0  0
    2.7343   -0.2937    1.0421 H   0  0  0  0  0
    4.4436   -0.3043    1.3827 H   0  0  0  0  0
    7.3609    1.5433   -0.4271 H   0  0  0  0  0
    8.6204    2.6976   -0.0565 H   0  0  0  0  0
    7.8483    2.7127   -1.6598 H   0  0  0  0  0
    6.6414    7.6889    1.9619 H   0  0  0  0  0
    9.6651    6.7076   -0.9123 H   0  0  0  0  0
    5.1626    5.6422   -1.4086 H   0  0  0  0  0
    3.6127    5.3173   -2.1195 H   0  0  0  0  0
    6.2264    4.0007   -3.0222 H   0  0  0  0  0
    5.3304    5.2725   -3.8621 H   0  0  0  0  0
    4.6266    3.6546   -3.6945 H   0  0  0  0  0
    1.3964    0.7401   -0.0900 H   0  0  0  0  0
   -0.5661    1.8086   -0.5403 H   0  0  0  0  0
   -1.0150    3.9505   -0.6923 H   0  0  0  0  0
    1.2623    4.9029   -2.4061 H   0  0  0  0  0
   -0.4965    4.9488   -2.6874 H   0  0  0  0  0
    0.4777    3.8705   -5.1552 H   0  0  0  0  0
    0.7253    1.6226   -6.1876 H   0  0  0  0  0
    0.8402   -0.4030   -4.7651 H   0  0  0  0  0
    0.6843   -0.2140   -2.2949 H   0  0  0  0  0
   -0.6169    6.0215    0.6261 H   0  0  0  0  0
    0.3424    6.4113   -0.8064 H   0  0  0  0  0
    2.3912    6.6424    0.5991 H   0  0  0  0  0
    1.4356    6.2994    2.0503 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 19  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 18  1  0  0  0
 13 14  2  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
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 20 48  1  0  0  0
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 21 22  1  0  0  0
 21 50  1  0  0  0
 22 30  1  0  0  0
 22 23  1  0  0  0
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 23 24  1  0  0  0
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 24 25  1  0  0  0
 24 53  1  0  0  0
 24 54  1  0  0  0
 25 30  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 55  1  0  0  0
 27 28  2  0  0  0
 27 56  1  0  0  0
 28 29  1  0  0  0
 28 57  1  0  0  0
 29 30  2  0  0  0
 29 58  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 32 59  1  0  0  0
 32 60  1  0  0  0
 33 34  1  0  0  0
 33 61  1  0  0  0
 33 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL249212

>  <PubChem CID>
44443661

>  <Formula>
C25H28Cl2FN5O

>  <Molecular Weight>
504.431000

>  <IUPAC Name>
2-N-(3,5-dichloropyridin-2-yl)-3,6-diethyl-5-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-2-N-methylpyrazine-2,5-diamine

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC1=C(N=C(C(=N1)N(C)C2=C(C=C(C=N2)Cl)Cl)CC)NC3C(CC4=CC=CC=C34)OCCF

>  <Isomeric SMILES>
CCC1=C(N=C(C(=N1)N(C)C2=C(C=C(C=N2)Cl)Cl)CC)N[C@H]3[C@H](CC4=CC=CC=C34)OCCF

>  <InChI Std. ID>
InChI=1S/C25H28Cl2FN5O/c1-4-19-23(32-22-17-9-7-6-8-15(17)12-21(22)34-11-10-28)30-20(5-2)25(31-19)33(3)24-18(27)13-16(26)14-29-24/h6-9,13-14,21-22H,4-5,10-12H2,1-3H3,(H,30,32)/t21-,22+/m0/s1

>  <InChI Key>
AXRGGNRDBYIQOI-FCHUYYIVSA-N

