
 SCHEMBL3413519

 78 82  0  0  0  0  0  0  0  0999 V2000
   -2.1131    1.3140    2.1800 C   0  0  0  0  0
   -0.7234    1.6353    1.9357 N   0  0  0  0  0
   -0.5218    2.6955    1.0560 C   0  0  0  0  0
    0.5591    3.4318    1.2870 N   0  0  0  0  0
    0.7658    4.4860    0.4971 C   0  0  0  0  0
   -0.0593    4.7913   -0.4877 N   0  0  0  0  0
   -1.0651    3.9468   -0.6919 C   0  0  0  0  0
   -1.3660    2.9037    0.0644 N   0  0  0  0  0
   -1.9278    4.1539   -1.7621 O   0  0  0  0  0
   -1.4447    4.8144   -2.8680 C   0  0  0  0  0
   -0.1993    4.5546   -3.4450 C   0  0  0  0  0
    0.2064    5.2690   -4.5751 C   0  0  0  0  0
   -0.6336    6.2259   -5.1479 C   0  0  0  0  0
   -1.9054    6.4327   -4.6119 C   0  0  0  0  0
   -2.3098    5.7254   -3.4755 C   0  0  0  0  0
   -0.1272    6.8653   -6.2461 O   0  0  0  0  0
   -0.6436    8.1695   -6.4871 C   0  0  0  0  0
    1.9092    5.2540    0.7182 N   0  0  0  0  0
    3.1170    4.4491    0.8349 C   0  0  0  0  0
    1.9755    6.6854    0.2780 C   0  0  0  0  0
    1.8828    6.8290   -1.2692 C   0  0  0  0  0
    2.0999    8.2654   -1.7780 C   0  0  0  0  0
    3.4853    8.8976   -1.4247 C   0  0  0  0  0
    3.5806    8.7386    0.1337 C   0  0  0  0  0
    3.3793    7.2985    0.6312 C   0  0  0  0  0
    3.5097   10.4213   -1.7571 C   0  0  0  0  0
    4.5124   11.2637   -1.2353 C   0  0  0  0  0
    4.5259   12.6398   -1.4879 C   0  0  0  0  0
    3.5236   13.2180   -2.2564 C   0  0  0  0  0
    2.5189   12.4173   -2.7849 C   0  0  0  0  0
    2.5200   11.0372   -2.5496 C   0  0  0  0  0
    4.5504    8.1125   -2.1346 N   0  0  0  0  0
    4.4417    8.1314   -3.5999 C   0  0  0  0  0
    5.9351    8.4113   -1.7699 C   0  0  0  0  0
    0.8813    7.4395    1.0891 C   0  0  0  0  0
    0.9990    7.5547    2.4903 C   0  0  0  0  0
    0.0517    8.2452    3.2513 C   0  0  0  0  0
   -1.0499    8.8235    2.6322 C   0  0  0  0  0
   -1.2204    8.6801    1.2598 C   0  0  0  0  0
   -0.2773    7.9778    0.5024 C   0  0  0  0  0
   -2.1722    0.5389    2.9508 H   0  0  0  0  0
   -2.5990    0.9164    1.2823 H   0  0  0  0  0
   -2.6730    2.1841    2.5408 H   0  0  0  0  0
   -0.1742    1.8468    2.7619 H   0  0  0  0  0
    0.4739    3.8170   -3.0170 H   0  0  0  0  0
    1.1889    5.0865   -5.0035 H   0  0  0  0  0
   -2.6082    7.1227   -5.0654 H   0  0  0  0  0
   -3.3019    5.8858   -3.0636 H   0  0  0  0  0
   -0.5565    8.8011   -5.5957 H   0  0  0  0  0
   -1.6780    8.1279   -6.8414 H   0  0  0  0  0
   -0.0418    8.6250   -7.2796 H   0  0  0  0  0
    2.9443    3.4349    1.2131 H   0  0  0  0  0
    3.8158    4.9010    1.5459 H   0  0  0  0  0
    3.6126    4.3560   -0.1370 H   0  0  0  0  0
    0.9102    6.5208   -1.6514 H   0  0  0  0  0
    2.6098    6.1587   -1.7462 H   0  0  0  0  0
    1.9102    8.2688   -2.8572 H   0  0  0  0  0
    1.3117    8.9053   -1.3671 H   0  0  0  0  0
    4.5422    9.0936    0.5201 H   0  0  0  0  0
    2.8343    9.3878    0.6125 H   0  0  0  0  0
    4.1767    6.6897    0.1859 H   0  0  0  0  0
    3.5701    7.2739    1.7102 H   0  0  0  0  0
    5.3061   10.8618   -0.6117 H   0  0  0  0  0
    5.3177   13.2584   -1.0734 H   0  0  0  0  0
    3.5228   14.2886   -2.4398 H   0  0  0  0  0
    1.7252   12.8631   -3.3792 H   0  0  0  0  0
    1.7097   10.4650   -2.9927 H   0  0  0  0  0
    3.5313    7.6391   -3.9512 H   0  0  0  0  0
    5.2593    7.5587   -4.0549 H   0  0  0  0  0
    4.4823    9.1446   -4.0130 H   0  0  0  0  0
    6.1076    8.3757   -0.6922 H   0  0  0  0  0
    6.2757    9.3776   -2.1549 H   0  0  0  0  0
    6.6019    7.6477   -2.1899 H   0  0  0  0  0
    1.8299    7.0836    3.0100 H   0  0  0  0  0
    0.1743    8.3213    4.3282 H   0  0  0  0  0
   -1.7850    9.3657    3.2200 H   0  0  0  0  0
   -2.0938    9.1057    0.7734 H   0  0  0  0  0
   -0.4805    7.8551   -0.5578 H   0  0  0  0  0
  1  2  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  2  3  1  0  0  0
  2 44  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 18  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 45  1  0  0  0
 12 13  2  0  0  0
 12 46  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 47  1  0  0  0
 15 48  1  0  0  0
 16 17  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 17 51  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 19 52  1  0  0  0
 19 53  1  0  0  0
 19 54  1  0  0  0
 20 25  1  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 22  1  0  0  0
 21 55  1  0  0  0
 21 56  1  0  0  0
 22 23  1  0  0  0
 22 57  1  0  0  0
 22 58  1  0  0  0
 23 24  1  0  0  0
 23 32  1  0  0  0
 23 26  1  0  0  0
 24 25  1  0  0  0
 24 59  1  0  0  0
 24 60  1  0  0  0
 25 61  1  0  0  0
 25 62  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 63  1  0  0  0
 28 29  2  0  0  0
 28 64  1  0  0  0
 29 30  1  0  0  0
 29 65  1  0  0  0
 30 31  2  0  0  0
 30 66  1  0  0  0
 31 67  1  0  0  0
 32 34  1  0  0  0
 32 33  1  0  0  0
 33 68  1  0  0  0
 33 69  1  0  0  0
 33 70  1  0  0  0
 34 71  1  0  0  0
 34 72  1  0  0  0
 34 73  1  0  0  0
 35 36  2  0  0  0
 35 40  1  0  0  0
 36 37  1  0  0  0
 36 74  1  0  0  0
 37 38  2  0  0  0
 37 75  1  0  0  0
 38 39  1  0  0  0
 38 76  1  0  0  0
 39 40  2  0  0  0
 39 77  1  0  0  0
 40 78  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3413519

>  <PubChem CID>
44253138

>  <Formula>
C32H38N6O2

>  <Molecular Weight>
538.696000

>  <IUPAC Name>
2-N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-6-(4-methoxyphenoxy)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CNC1=NC(=NC(=N1)OC2=CC=C(C=C2)OC)N(C)C3(CCC(CC3)(C4=CC=CC=C4)N(C)C)C5=CC=CC=C5

>  <Isomeric SMILES>
CNC1=NC(=NC(=N1)OC2=CC=C(C=C2)OC)N(C)C3(CCC(CC3)(C4=CC=CC=C4)N(C)C)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C32H38N6O2/c1-33-28-34-29(36-30(35-28)40-27-18-16-26(39-5)17-19-27)38(4)32(25-14-10-7-11-15-25)22-20-31(21-23-32,37(2)3)24-12-8-6-9-13-24/h6-19H,20-23H2,1-5H3,(H,33,34,35,36)

>  <InChI Key>
AHTGEUVXEZBNCV-UHFFFAOYSA-N

