
 CHEMBL2112432

 57 62  0  0  0  0  0  0  0  0999 V2000
   -2.3042    0.3188    0.2661 C   0  0  0  0  0
   -2.1965   -1.0958   -0.2836 C   0  0  0  0  0
   -0.9513   -1.7951    0.2566 C   0  0  0  0  0
    0.2866   -1.0448   -0.0288 N   0  0  0  0  0
    1.4295   -1.7810    0.5467 C   0  0  0  0  0
    2.7640   -1.0752    0.3159 C   0  0  0  0  0
    2.7142    0.3608    0.8206 C   0  0  0  0  0
    1.5311    1.1277    0.2058 C   0  0  0  0  0
    0.2205    0.3392    0.4991 C   0  0  0  0  0
   -1.0210    1.0824   -0.0352 C   0  0  0  0  0
    1.7367    1.4189   -1.3024 C   0  0  0  0  0
    2.9538    2.1831   -1.6066 N   0  0  0  0  0
    3.9430    1.5786   -2.4736 C   0  0  0  0  0
    5.2047    1.4462   -1.7122 C   0  0  0  0  0
    5.8102    0.3087   -1.4226 N   0  0  0  0  0
    6.9622    0.6723   -0.7893 C   0  0  0  0  0
    7.0760    2.0556   -0.7009 C   0  0  0  0  0
    5.9193    2.5541   -1.2861 N   0  0  0  0  0
    5.5591    3.9149   -1.4955 C   0  0  0  0  0
    6.5907    4.8611   -1.6579 C   0  0  0  0  0
    6.3043    6.2044   -1.9089 C   0  0  0  0  0
    4.9860    6.6284   -1.9929 C   0  0  0  0  0
    3.9546    5.7076   -1.8159 C   0  0  0  0  0
    4.2185    4.3439   -1.5686 C   0  0  0  0  0
    3.0056    3.5248   -1.2571 C   0  0  0  0  0
    2.0621    4.0885   -0.7019 O   0  0  0  0  0
    8.0883    2.7404   -0.1186 N   0  0  0  0  0
    9.0500    1.9372    0.3927 C   0  0  0  0  0
    9.0536    0.5484    0.3558 C   0  0  0  0  0
    7.9863   -0.1142   -0.2495 C   0  0  0  0  0
   -2.4743    0.2881    1.3490 H   0  0  0  0  0
   -3.1615    0.8324   -0.1826 H   0  0  0  0  0
   -2.1581   -1.0656   -1.3798 H   0  0  0  0  0
   -3.0903   -1.6676   -0.0100 H   0  0  0  0  0
   -0.8914   -2.7875   -0.2068 H   0  0  0  0  0
   -1.0692   -1.9489    1.3377 H   0  0  0  0  0
    1.4893   -2.7778    0.0929 H   0  0  0  0  0
    1.2871   -1.9266    1.6262 H   0  0  0  0  0
    3.0185   -1.0970   -0.7498 H   0  0  0  0  0
    3.5596   -1.6186    0.8389 H   0  0  0  0  0
    3.6639    0.8669    0.6272 H   0  0  0  0  0
    2.5992    0.3484    1.9127 H   0  0  0  0  0
    1.4640    2.0866    0.7353 H   0  0  0  0  0
    0.1133    0.2852    1.5935 H   0  0  0  0  0
   -1.0782    2.0823    0.4107 H   0  0  0  0  0
   -0.9619    1.2159   -1.1211 H   0  0  0  0  0
    0.9068    2.0250   -1.6812 H   0  0  0  0  0
    1.7291    0.4917   -1.8843 H   0  0  0  0  0
    4.0798    2.2055   -3.3622 H   0  0  0  0  0
    3.6080    0.5946   -2.8168 H   0  0  0  0  0
    7.6399    4.5738   -1.6243 H   0  0  0  0  0
    7.1159    6.9171   -2.0366 H   0  0  0  0  0
    4.7563    7.6751   -2.1759 H   0  0  0  0  0
    2.9256    6.0659   -1.8480 H   0  0  0  0  0
    9.8727    2.4689    0.8671 H   0  0  0  0  0
    9.8726   -0.0110    0.7953 H   0  0  0  0  0
    7.9390   -1.1955   -0.2999 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  8 43  1  0  0  0
  9 10  1  0  0  0
  9 44  1  0  0  0
 10 45  1  0  0  0
 10 46  1  0  0  0
 11 12  1  0  0  0
 11 47  1  0  0  0
 11 48  1  0  0  0
 12 25  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 49  1  0  0  0
 13 50  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 30  1  0  0  0
 17 18  1  0  0  0
 17 27  1  0  0  0
 18 19  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 51  1  0  0  0
 21 22  2  0  0  0
 21 52  1  0  0  0
 22 23  1  0  0  0
 22 53  1  0  0  0
 23 24  2  0  0  0
 23 54  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 28 55  1  0  0  0
 29 30  2  0  0  0
 29 56  1  0  0  0
 30 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2112432

>  <PubChem CID>
53853235

>  <Formula>
C24H27N5O

>  <Molecular Weight>
401.514000

>  <IUPAC Name>


>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN2CCCC(C2C1)CN3CC4=NC5=C(N4C6=CC=CC=C6C3=O)N=CC=C5

>  <Isomeric SMILES>
C1CCN2CCC[C@H]([C@H]2C1)CN3CC4=NC5=C(N4C6=CC=CC=C6C3=O)N=CC=C5

>  <InChI Std. ID>
InChI=1S/C24H27N5O/c30-24-18-8-1-2-11-21(18)29-22(26-19-9-5-12-25-23(19)29)16-28(24)15-17-7-6-14-27-13-4-3-10-20(17)27/h1-2,5,8-9,11-12,17,20H,3-4,6-7,10,13-16H2/t17-,20+/m0/s1

>  <InChI Key>
GRHLUCFHEZMWMY-FXAWDEMLSA-N

