
 CHEMBL434609

 79 81  0  0  0  0  0  0  0  0999 V2000
    6.1594   -0.1310   -1.0837 C   0  0  0  0  0
    5.9157   -0.0646   -2.5986 C   0  0  0  0  0
    6.9616   -0.9121   -3.3379 C   0  0  0  0  0
    4.4629   -0.4953   -2.9572 C   0  0  0  0  0
    4.0948   -1.9246   -2.6521 C   0  0  0  0  0
    2.9383   -2.4744   -3.0547 C   0  0  0  0  0
    2.6398   -3.8991   -2.7478 C   0  0  0  0  0
    2.9317   -4.3597   -1.6496 O   0  0  0  0  0
    2.0412   -4.6288   -3.7665 N   0  0  0  0  0
    1.8751   -4.1223   -5.1277 C   0  0  0  0  0
    1.5054   -5.9785   -3.4500 C   0  0  0  0  0
   -0.0208   -6.0912   -3.6910 C   0  0  0  0  0
   -0.8477   -5.2878   -2.7091 C   0  0  0  0  0
   -1.2676   -3.9883   -3.0256 C   0  0  0  0  0
   -1.9999   -3.2119   -2.1127 C   0  0  0  0  0
   -2.3954   -1.9008   -2.4235 C   0  0  0  0  0
   -3.1189   -1.1373   -1.5068 C   0  0  0  0  0
   -3.4611   -1.6771   -0.2709 C   0  0  0  0  0
   -3.0764   -2.9799    0.0524 C   0  0  0  0  0
   -2.3409   -3.7587   -0.8566 C   0  0  0  0  0
   -1.9323   -5.0655   -0.5474 C   0  0  0  0  0
   -1.1880   -5.8192   -1.4602 C   0  0  0  0  0
    2.2529   -7.0578   -4.2890 C   0  0  0  0  0
    1.7437   -7.5025   -5.3278 O   0  0  0  0  0
    3.5387   -7.4559   -3.9204 N   0  0  0  0  0
    4.1556   -7.1398   -2.6341 C   0  0  0  0  0
    4.2439   -8.4172   -4.8138 C   0  0  0  0  0
    5.7870   -8.3809   -4.7160 C   0  0  0  0  0
    6.6151   -9.2582   -5.6428 C   0  0  0  0  0
    8.0135   -9.2338   -5.4760 C   0  0  0  0  0
    8.8368  -10.0584   -6.2394 C   0  0  0  0  0
    8.2888  -10.9195   -7.1769 C   0  0  0  0  0
    6.9144  -10.9506   -7.3736 C   0  0  0  0  0
    6.0818  -10.1144   -6.6192 C   0  0  0  0  0
    9.0769  -11.7274   -7.8991 F   0  0  0  0  0
   10.1631  -10.0172   -6.0522 F   0  0  0  0  0
    3.7163   -9.8300   -4.4749 C   0  0  0  0  0
    4.0943  -10.4735   -3.4998 O   0  0  0  0  0
    2.7428  -10.2728   -5.3517 N   0  0  0  0  0
    2.1585  -11.5856   -5.2560 C   0  0  0  0  0
    6.1181    1.3361   -3.0128 N   0  0  0  0  0
    5.4279    0.4744   -0.5355 H   0  0  0  0  0
    7.1580    0.2409   -0.8242 H   0  0  0  0  0
    6.0910   -1.1566   -0.7068 H   0  0  0  0  0
    7.9791   -0.5616   -3.1256 H   0  0  0  0  0
    6.8164   -0.8689   -4.4237 H   0  0  0  0  0
    6.9172   -1.9643   -3.0376 H   0  0  0  0  0
    4.3015   -0.3250   -4.0313 H   0  0  0  0  0
    3.7587    0.1576   -2.4235 H   0  0  0  0  0
    4.7976   -2.5368   -2.0910 H   0  0  0  0  0
    2.1890   -1.9091   -3.5945 H   0  0  0  0  0
    0.9112   -3.6140   -5.2025 H   0  0  0  0  0
    1.9146   -4.9369   -5.8532 H   0  0  0  0  0
    2.6667   -3.4130   -5.3823 H   0  0  0  0  0
    1.6536   -6.1991   -2.3911 H   0  0  0  0  0
   -0.3269   -7.1435   -3.6089 H   0  0  0  0  0
   -0.2838   -5.7964   -4.7145 H   0  0  0  0  0
   -1.0206   -3.5687   -3.9965 H   0  0  0  0  0
   -2.1382   -1.4621   -3.3846 H   0  0  0  0  0
   -3.4147   -0.1223   -1.7584 H   0  0  0  0  0
   -4.0259   -1.0846    0.4441 H   0  0  0  0  0
   -3.3517   -3.3834    1.0241 H   0  0  0  0  0
   -2.1843   -5.5050    0.4153 H   0  0  0  0  0
   -0.8776   -6.8245   -1.1829 H   0  0  0  0  0
    3.4455   -6.7768   -1.8977 H   0  0  0  0  0
    4.9285   -6.3837   -2.7985 H   0  0  0  0  0
    4.6034   -8.0413   -2.2081 H   0  0  0  0  0
    3.9698   -8.1757   -5.8491 H   0  0  0  0  0
    6.0927   -8.6500   -3.6970 H   0  0  0  0  0
    6.1087   -7.3438   -4.8817 H   0  0  0  0  0
    8.4747   -8.5839   -4.7364 H   0  0  0  0  0
    6.4948  -11.6329   -8.1070 H   0  0  0  0  0
    5.0148  -10.1746   -6.8103 H   0  0  0  0  0
    2.2384   -9.5559   -5.8720 H   0  0  0  0  0
    2.7877  -12.2590   -4.6689 H   0  0  0  0  0
    2.0496  -11.9795   -6.2701 H   0  0  0  0  0
    1.1736  -11.4959   -4.7936 H   0  0  0  0  0
    5.4409    1.9392   -2.5467 H   0  0  0  0  0
    5.9515    1.4339   -4.0136 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  2 41  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 45  1  0  0  0
  3 46  1  0  0  0
  3 47  1  0  0  0
  4  5  1  0  0  0
  4 48  1  0  0  0
  4 49  1  0  0  0
  5  6  2  0  0  0
  5 50  1  0  0  0
  6  7  1  0  0  0
  6 51  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 52  1  0  0  0
 10 53  1  0  0  0
 10 54  1  0  0  0
 11 23  1  0  0  0
 11 12  1  0  0  0
 11 55  1  0  0  0
 12 13  1  0  0  0
 12 56  1  0  0  0
 12 57  1  0  0  0
 13 22  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 58  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 59  1  0  0  0
 17 18  2  0  0  0
 17 60  1  0  0  0
 18 19  1  0  0  0
 18 61  1  0  0  0
 19 20  2  0  0  0
 19 62  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 63  1  0  0  0
 22 64  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
 26 65  1  0  0  0
 26 66  1  0  0  0
 26 67  1  0  0  0
 27 37  1  0  0  0
 27 28  1  0  0  0
 27 68  1  0  0  0
 28 29  1  0  0  0
 28 69  1  0  0  0
 28 70  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30 71  1  0  0  0
 31 32  2  0  0  0
 31 36  1  0  0  0
 32 33  1  0  0  0
 32 35  1  0  0  0
 33 34  2  0  0  0
 33 72  1  0  0  0
 34 73  1  0  0  0
 37 39  1  0  0  0
 37 38  2  0  0  0
 39 40  1  0  0  0
 39 74  1  0  0  0
 40 75  1  0  0  0
 40 76  1  0  0  0
 40 77  1  0  0  0
 41 78  1  0  0  0
 41 79  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL434609

>  <PubChem CID>
10530983

>  <Formula>
C32H38F2N4O3

>  <Molecular Weight>
564.678000

>  <IUPAC Name>
(E)-5-amino-N-[(2R)-1-[[(2R)-3-(3,4-difluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide

>  <XlogP>
4.400

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C(CC3=CC(=C(C=C3)F)F)C(=O)NC)N

>  <Isomeric SMILES>
CC(C)(C/C=C/C(=O)N(C)[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)[C@H](CC3=CC(=C(C=C3)F)F)C(=O)NC)N

>  <InChI Std. ID>
InChI=1S/C32H38F2N4O3/c1-32(2,35)16-8-11-29(39)37(4)28(20-21-12-14-23-9-6-7-10-24(23)17-21)31(41)38(5)27(30(40)36-3)19-22-13-15-25(33)26(34)18-22/h6-15,17-18,27-28H,16,19-20,35H2,1-5H3,(H,36,40)/b11-8+/t27-,28-/m1/s1

>  <InChI Key>
BQAUKCBBJQOXNR-ODNGPVGPSA-N

