
 AC1MR1M1

 57 61  0  0  0  0  0  0  0  0999 V2000
    1.0187    0.1253   -0.0125 C   0  0  0  0  0
    2.5097    0.2392   -0.0603 C   0  0  0  0  0
    3.1562    1.4148   -0.0121 C   0  0  0  0  0
    4.5897    1.4769   -0.0776 C   0  0  0  0  0
    5.2990    0.3506   -0.1989 C   0  0  0  0  0
    4.6895   -0.8967   -0.2555 N   0  0  0  0  0
    3.3124   -1.0307   -0.1792 C   0  0  0  0  0
    2.6999   -2.1717   -0.2058 N   0  0  0  0  0
    3.4152   -3.3433   -0.3215 C   0  0  0  0  0
    4.7615   -3.3283   -0.4317 C   0  0  0  0  0
    5.4789   -2.0249   -0.3829 C   0  0  0  0  0
    6.7109   -2.0065   -0.4490 O   0  0  0  0  0
    5.5300   -4.5543   -0.5861 C   0  0  0  0  0
    4.9720   -5.7767   -0.6082 C   0  0  0  0  0
    3.4591   -5.7970   -0.5305 C   0  0  0  0  0
    2.8120   -6.9240   -0.6507 N   0  0  0  0  0
    2.7554   -4.5962   -0.3432 N   0  0  0  0  0
    1.2963   -4.6583   -0.1527 C   0  0  0  0  0
    0.9305   -4.8003    1.3145 C   0  0  0  0  0
    0.7187   -3.6652    2.1134 C   0  0  0  0  0
    0.3932   -3.7968    3.4640 C   0  0  0  0  0
    0.2819   -5.0646    4.0204 C   0  0  0  0  0
    0.4912   -6.2028    3.2524 C   0  0  0  0  0
    0.8169   -6.0713    1.9014 C   0  0  0  0  0
   -0.0291   -5.1899    5.3174 F   0  0  0  0  0
    5.7803   -7.0227   -0.7849 C   0  0  0  0  0
    5.2438   -8.0645   -1.1536 O   0  0  0  0  0
    7.1193   -6.9440   -0.4705 N   0  0  0  0  0
    7.9857   -8.1121   -0.5390 C   0  0  0  0  0
    9.4448   -7.6996   -0.7916 C   0  0  0  0  0
   10.2606   -8.3521    0.3177 C   0  0  0  0  0
    9.2820   -8.4618    1.4731 C   0  0  0  0  0
    7.9915   -8.8846    0.7863 C   0  0  0  0  0
    0.5381    1.1083    0.0389 H   0  0  0  0  0
    0.7036   -0.4388    0.8701 H   0  0  0  0  0
    0.6407   -0.3791   -0.9076 H   0  0  0  0  0
    2.6164    2.3537    0.0713 H   0  0  0  0  0
    5.0758    2.4463   -0.0330 H   0  0  0  0  0
    6.3846    0.3763   -0.2557 H   0  0  0  0  0
    6.6000   -4.4199   -0.7116 H   0  0  0  0  0
    3.4755   -7.7025   -0.8192 H   0  0  0  0  0
    0.8484   -5.4823   -0.7233 H   0  0  0  0  0
    0.8046   -3.7667   -0.5643 H   0  0  0  0  0
    0.8111   -2.6717    1.6839 H   0  0  0  0  0
    0.2294   -2.9211    4.0830 H   0  0  0  0  0
    0.4038   -7.1843    3.7066 H   0  0  0  0  0
    0.9882   -6.9656    1.3038 H   0  0  0  0  0
    7.4626   -6.1465    0.0464 H   0  0  0  0  0
    7.6275   -8.7621   -1.3456 H   0  0  0  0  0
    9.5692   -6.6105   -0.7545 H   0  0  0  0  0
    9.7899   -8.0300   -1.7771 H   0  0  0  0  0
   10.5877   -9.3506    0.0034 H   0  0  0  0  0
   11.1501   -7.7701    0.5757 H   0  0  0  0  0
    9.6080   -9.1846    2.2264 H   0  0  0  0  0
    9.1547   -7.4879    1.9599 H   0  0  0  0  0
    8.0313   -9.9613    0.5794 H   0  0  0  0  0
    7.1135   -8.6959    1.4119 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  4  5  2  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 17  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 29  1  0  0  0
 28 48  1  0  0  0
 29 33  1  0  0  0
 29 30  1  0  0  0
 29 49  1  0  0  0
 30 31  1  0  0  0
 30 50  1  0  0  0
 30 51  1  0  0  0
 31 32  1  0  0  0
 31 52  1  0  0  0
 31 53  1  0  0  0
 32 33  1  0  0  0
 32 54  1  0  0  0
 32 55  1  0  0  0
 33 56  1  0  0  0
 33 57  1  0  0  0
M  END

>  <Chemical Name>
AC1MR1M1

>  <PubChem CID>
3461011

>  <Formula>
C25H24FN5O2

>  <Molecular Weight>
445.498000

>  <IUPAC Name>
N-cyclopentyl-1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxodipyrido[4,3-b:1',2'-f]pyrimidine-3-carboxamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=C(C=C4)F)C(=O)NC5CCCC5

>  <Isomeric SMILES>
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=C(C=C4)F)C(=O)NC5CCCC5

>  <InChI Std. ID>
InChI=1S/C25H24FN5O2/c1-15-5-4-12-30-22(15)29-23-20(25(30)33)13-19(24(32)28-18-6-2-3-7-18)21(27)31(23)14-16-8-10-17(26)11-9-16/h4-5,8-13,18,27H,2-3,6-7,14H2,1H3,(H,28,32)

>  <InChI Key>
AAOGXTPEJATQRN-UHFFFAOYSA-N

