
 CHEMBL266376

 52 55  0  0  0  0  0  0  0  0999 V2000
    1.9054   -0.4092    1.0032 C   0  0  0  0  0
    1.7161    0.9110    1.6912 C   0  0  0  0  0
    2.3764    2.0623    1.2317 C   0  0  0  0  0
    2.1876    3.2943    1.8639 C   0  0  0  0  0
    1.3112    3.3717    2.9529 C   0  0  0  0  0
    0.6518    2.2327    3.4173 C   0  0  0  0  0
    0.8533    1.0064    2.7885 C   0  0  0  0  0
    2.8171    4.4876    1.4598 N   0  0  0  0  0
    3.8596    4.6264    0.5691 C   0  0  0  0  0
    4.4956    3.7290    0.0230 O   0  0  0  0  0
    4.1923    5.9636    0.3962 N   0  0  0  0  0
    5.1820    6.2321   -0.5648 N   0  0  0  0  0
    5.6421    7.5348   -0.6157 C   0  0  0  0  0
    4.7885    8.4865   -0.3337 N   0  0  0  0  0
    5.1701    9.8200   -0.4894 C   0  0  0  0  0
    4.2392   10.8218   -0.2009 C   0  0  0  0  0
    4.5659   12.1708   -0.3638 C   0  0  0  0  0
    5.8337   12.5302   -0.8176 C   0  0  0  0  0
    6.7691   11.5392   -1.1112 C   0  0  0  0  0
    6.4278   10.1891   -0.9497 C   0  0  0  0  0
    7.3972    9.1201   -1.2391 C   0  0  0  0  0
    8.5263    9.4508   -1.6014 O   0  0  0  0  0
    6.9565    7.8082   -1.0247 N   0  0  0  0  0
    7.9202    6.7563   -1.1569 C   0  0  0  0  0
    8.6848    6.6286   -2.3236 C   0  0  0  0  0
    9.6016    5.5824   -2.4726 C   0  0  0  0  0
    9.7853    4.6770   -1.4272 C   0  0  0  0  0
    9.0515    4.8111   -0.2471 C   0  0  0  0  0
    8.1229    5.8429   -0.1123 C   0  0  0  0  0
   10.2420    5.5524   -3.6813 O   0  0  0  0  0
   11.1275    4.4648   -3.9142 C   0  0  0  0  0
    2.6969   -0.3604    0.2484 H   0  0  0  0  0
    0.9777   -0.7083    0.5049 H   0  0  0  0  0
    2.1873   -1.1784    1.7297 H   0  0  0  0  0
    3.0298    1.9754    0.3680 H   0  0  0  0  0
    1.1373    4.3153    3.4630 H   0  0  0  0  0
   -0.0192    2.3015    4.2697 H   0  0  0  0  0
    0.3327    0.1245    3.1549 H   0  0  0  0  0
    2.5856    5.3196    1.9826 H   0  0  0  0  0
    3.4663    6.6752    0.4200 H   0  0  0  0  0
    5.7937    5.4401   -0.7619 H   0  0  0  0  0
    3.2470   10.5457    0.1469 H   0  0  0  0  0
    3.8297   12.9386   -0.1386 H   0  0  0  0  0
    6.0928   13.5785   -0.9433 H   0  0  0  0  0
    7.7608   11.8172   -1.4633 H   0  0  0  0  0
    8.5547    7.3299   -3.1452 H   0  0  0  0  0
   10.4959    3.8600   -1.4959 H   0  0  0  0  0
    9.2076    4.1117    0.5710 H   0  0  0  0  0
    7.5830    5.9413    0.8274 H   0  0  0  0  0
   11.5072    4.5558   -4.9364 H   0  0  0  0  0
   10.6068    3.5042   -3.8387 H   0  0  0  0  0
   11.9845    4.5050   -3.2340 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 23  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 46  1  0  0  0
 26 27  2  0  0  0
 26 30  1  0  0  0
 27 28  1  0  0  0
 27 47  1  0  0  0
 28 29  2  0  0  0
 28 48  1  0  0  0
 29 49  1  0  0  0
 30 31  1  0  0  0
 31 50  1  0  0  0
 31 51  1  0  0  0
 31 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL266376

>  <PubChem CID>
10501974

>  <Formula>
C23H21N5O3

>  <Molecular Weight>
415.453000

>  <IUPAC Name>
1-[[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]amino]-3-(3-methylphenyl)urea

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=CC=C1)NC(=O)NNC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

>  <Isomeric SMILES>
CC1=CC(=CC=C1)NC(=O)NNC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

>  <InChI Std. ID>
InChI=1S/C23H21N5O3/c1-15-7-5-8-16(13-15)24-23(30)27-26-22-25-20-12-4-3-11-19(20)21(29)28(22)17-9-6-10-18(14-17)31-2/h3-14H,1-2H3,(H,25,26)(H2,24,27,30)

>  <InChI Key>
BMUMVTUSRCNWHN-UHFFFAOYSA-N

