
 CHEMBL1684553

 64 67  0  0  0  0  0  0  0  0999 V2000
    1.7286    0.9969    1.6491 C   0  0  0  0  0
    2.9724    0.5299    2.2221 N   0  0  0  0  0
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    3.7189   10.1296   -2.1948 C   0  0  0  0  0
    3.0016    9.8336   -3.4448 N   0  0  0  0  0
    1.5411    9.6654   -3.2712 C   0  0  0  0  0
    0.7895   10.9782   -2.9937 C   0  0  0  0  0
    1.0333   11.9456   -4.0224 O   0  0  0  0  0
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    7.0730    0.2533   -1.4618 C   0  0  0  0  0
   10.6812   -0.1032    0.5856 O   0  0  0  0  0
   11.7672   -0.7230   -0.0967 C   0  0  0  0  0
    0.9309    0.3286    1.9823 H   0  0  0  0  0
    1.7473    1.0170    0.5607 H   0  0  0  0  0
    1.5335    2.0024    2.0317 H   0  0  0  0  0
    2.9740    0.3805    3.2245 H   0  0  0  0  0
    3.5513    1.0675   -0.3147 H   0  0  0  0  0
    5.0118    0.1339   -0.1225 H   0  0  0  0  0
    3.4241    5.8718    0.8087 H   0  0  0  0  0
    7.1638    7.9814    0.5366 H   0  0  0  0  0
    8.3231    5.8567    0.0345 H   0  0  0  0  0
    5.6477    9.4262   -0.3061 H   0  0  0  0  0
    4.2615   10.1557    0.4857 H   0  0  0  0  0
    2.7054    8.7354   -0.8551 H   0  0  0  0  0
    4.0633    8.0432   -1.7237 H   0  0  0  0  0
    4.7666   10.3468   -2.4411 H   0  0  0  0  0
    3.3234   11.0219   -1.6966 H   0  0  0  0  0
    1.3097    8.9266   -2.4980 H   0  0  0  0  0
    1.1529    9.2408   -4.2067 H   0  0  0  0  0
   -0.2882   10.7864   -2.9740 H   0  0  0  0  0
    1.0632   11.4063   -2.0229 H   0  0  0  0  0
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    6.1728    0.4063   -2.0504 H   0  0  0  0  0
   12.6879   -0.4688    0.4376 H   0  0  0  0  0
   11.8650   -0.3505   -1.1229 H   0  0  0  0  0
   11.6638   -1.8123   -0.0833 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
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  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  9 16  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1684553

>  <PubChem CID>
53324872

>  <Formula>
C25H30N4O5

>  <Molecular Weight>
466.538000

>  <IUPAC Name>
2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-methylacetamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CNC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2)OCCCN3CCOCC3)C4=CC(=CC=C4)OC

>  <Isomeric SMILES>
CNC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2)OCCCN3CCOCC3)C4=CC(=CC=C4)OC

>  <InChI Std. ID>
InChI=1S/C25H30N4O5/c1-26-23(30)17-29-24(18-5-3-6-19(15-18)32-2)27-22-8-7-20(16-21(22)25(29)31)34-12-4-9-28-10-13-33-14-11-28/h3,5-8,15-16H,4,9-14,17H2,1-2H3,(H,26,30)

>  <InChI Key>
BZKVOBBYRMVGNZ-UHFFFAOYSA-N

