
 CHEMBL282693

 67 70  0  0  0  0  0  0  0  0999 V2000
    1.6077    0.1543    2.5693 C   0  0  0  0  0
    2.4936   -0.3067    1.4402 C   0  0  0  0  0
    2.7679    0.4860    0.3011 C   0  0  0  0  0
    3.6250   -0.0539   -0.6816 C   0  0  0  0  0
    4.1926   -1.3253   -0.5531 C   0  0  0  0  0
    3.9302   -2.1048    0.5734 C   0  0  0  0  0
    3.0890   -1.5817    1.5646 C   0  0  0  0  0
    4.5283   -3.4282    0.7103 C   0  0  0  0  0
    4.1736   -4.3196    1.6520 N   0  0  0  0  0
    5.0074   -5.4085    1.4105 O   0  0  0  0  0
    5.7873   -5.0691    0.3472 C   0  0  0  0  0
    5.5302   -3.8738   -0.1281 N   0  0  0  0  0
    6.7853   -6.0616   -0.0841 C   0  0  0  0  0
    2.2020    1.8362    0.0761 C   0  0  0  0  0
    2.2864    2.8496    1.0448 C   0  0  0  0  0
    1.7642    4.1267    0.8100 C   0  0  0  0  0
    1.2255    4.4445   -0.4388 C   0  0  0  0  0
    1.1071    3.4447   -1.4074 C   0  0  0  0  0
    1.5836    2.1560   -1.1473 C   0  0  0  0  0
    0.6977    5.7922   -0.7526 C   0  0  0  0  0
   -0.3491    5.8718   -1.3995 O   0  0  0  0  0
    1.2750    6.9509   -0.2872 N   0  0  0  0  0
    2.5517    7.2608    0.2150 C   0  0  0  0  0
    3.6837    6.4568    0.0742 C   0  0  0  0  0
    4.9185    6.8112    0.6529 C   0  0  0  0  0
    5.0328    8.0593    1.2996 C   0  0  0  0  0
    3.9129    8.8917    1.3908 C   0  0  0  0  0
    2.6855    8.4931    0.8563 C   0  0  0  0  0
    6.2758    8.4336    1.7411 O   0  0  0  0  0
    6.3176    9.4079    2.7771 C   0  0  0  0  0
    5.9957    5.9192    0.4249 N   0  0  0  0  0
    6.8266    5.5444    1.5870 C   0  0  0  0  0
    6.0426    4.7655    2.6669 C   0  0  0  0  0
    6.8594    4.4005    3.8499 N   0  0  0  0  0
    7.1963    5.5800    4.6521 C   0  0  0  0  0
    6.1338    3.4350    4.6800 C   0  0  0  0  0
    2.1779    0.7850    3.2590 H   0  0  0  0  0
    1.2208   -0.6976    3.1392 H   0  0  0  0  0
    0.7364    0.7013    2.1982 H   0  0  0  0  0
    3.8696    0.5272   -1.5701 H   0  0  0  0  0
    4.8429   -1.6967   -1.3427 H   0  0  0  0  0
    2.8854   -2.1753    2.4558 H   0  0  0  0  0
    7.3193   -5.7122   -0.9727 H   0  0  0  0  0
    6.3042   -7.0138   -0.3253 H   0  0  0  0  0
    7.5187   -6.2335    0.7094 H   0  0  0  0  0
    2.7755    2.6598    1.9971 H   0  0  0  0  0
    1.8140    4.8711    1.5997 H   0  0  0  0  0
    0.6443    3.6639   -2.3677 H   0  0  0  0  0
    1.4727    1.3965   -1.9197 H   0  0  0  0  0
    0.6369    7.7313   -0.3959 H   0  0  0  0  0
    3.6522    5.5365   -0.5016 H   0  0  0  0  0
    3.9678    9.8722    1.8519 H   0  0  0  0  0
    1.8341    9.1626    0.9528 H   0  0  0  0  0
    7.3352    9.4228    3.1792 H   0  0  0  0  0
    5.6394    9.1522    3.5988 H   0  0  0  0  0
    6.1019   10.4054    2.3820 H   0  0  0  0  0
    6.6027    6.3766   -0.2579 H   0  0  0  0  0
    7.3395    6.4142    2.0001 H   0  0  0  0  0
    7.6239    4.8909    1.2105 H   0  0  0  0  0
    5.6752    3.8459    2.1910 H   0  0  0  0  0
    5.1534    5.3248    2.9837 H   0  0  0  0  0
    7.8561    6.2589    4.1037 H   0  0  0  0  0
    7.7491    5.2892    5.5530 H   0  0  0  0  0
    6.3052    6.1369    4.9639 H   0  0  0  0  0
    5.9269    2.5189    4.1161 H   0  0  0  0  0
    5.1838    3.8381    5.0492 H   0  0  0  0  0
    6.7401    3.1372    5.5435 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 42  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 13 45  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 16 17  2  0  0  0
 16 47  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 48  1  0  0  0
 19 49  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 51  1  0  0  0
 25 26  2  0  0  0
 25 31  1  0  0  0
 26 27  1  0  0  0
 26 29  1  0  0  0
 27 28  2  0  0  0
 27 52  1  0  0  0
 28 53  1  0  0  0
 29 30  1  0  0  0
 30 54  1  0  0  0
 30 55  1  0  0  0
 30 56  1  0  0  0
 31 32  1  0  0  0
 31 57  1  0  0  0
 32 33  1  0  0  0
 32 58  1  0  0  0
 32 59  1  0  0  0
 33 34  1  0  0  0
 33 60  1  0  0  0
 33 61  1  0  0  0
 34 36  1  0  0  0
 34 35  1  0  0  0
 35 62  1  0  0  0
 35 63  1  0  0  0
 35 64  1  0  0  0
 36 65  1  0  0  0
 36 66  1  0  0  0
 36 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL282693

>  <PubChem CID>
10624768

>  <Formula>
C28H31N5O3

>  <Molecular Weight>
485.588000

>  <IUPAC Name>
N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)NCCN(C)C

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)NCCN(C)C

>  <InChI Std. ID>
InChI=1S/C28H31N5O3/c1-18-16-22(27-30-19(2)36-32-27)10-12-24(18)20-6-8-21(9-7-20)28(34)31-23-11-13-26(35-5)25(17-23)29-14-15-33(3)4/h6-13,16-17,29H,14-15H2,1-5H3,(H,31,34)

>  <InChI Key>
BAQFINVRIZNAMC-UHFFFAOYSA-N

