
 CHEMBL1778945

 68 72  0  0  0  0  0  0  0  0999 V2000
    5.9385   -0.0218    2.9247 C   0  0  0  0  0
    5.0749    0.1103    1.6572 C   0  0  0  0  0
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    6.5518    3.8940    1.8150 O   0  0  0  0  0
    9.3409    3.8664    1.7053 C   0  0  0  0  0
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   12.9563    3.9939    2.7612 C   0  0  0  0  0
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   15.3269    6.6470    3.3648 C   0  0  0  0  0
   16.6450    7.0913    2.7000 C   0  0  0  0  0
   17.0465    5.6106    2.8454 C   0  0  0  0  0
    6.1901    3.5410   -3.0173 C   0  0  0  0  0
    5.0531    4.2924   -3.3281 C   0  0  0  0  0
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    6.1198    2.5704   -5.2521 C   0  0  0  0  0
    6.7367    2.7062   -4.0071 C   0  0  0  0  0
    5.5962    0.6627    3.7097 H   0  0  0  0  0
    6.9864    0.2231    2.7147 H   0  0  0  0  0
    5.9042   -1.0398    3.3283 H   0  0  0  0  0
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    4.9775   -0.9082   -0.2878 H   0  0  0  0  0
    5.6018   -1.9132    1.0178 H   0  0  0  0  0
    3.2291    0.5051    2.7546 H   0  0  0  0  0
    3.5291   -1.2149    2.4513 H   0  0  0  0  0
    2.9596   -0.1693    1.1469 H   0  0  0  0  0
    5.6185    2.1775    1.7915 H   0  0  0  0  0
    4.5204    4.0319    0.6058 H   0  0  0  0  0
    4.2543    3.7503   -1.0953 H   0  0  0  0  0
    8.8746    3.9962    2.6792 H   0  0  0  0  0
   12.3107    3.3575    0.1397 H   0  0  0  0  0
   10.8536    3.4392   -1.8225 H   0  0  0  0  0
   13.3825    4.3692    1.8322 H   0  0  0  0  0
   13.8941    3.3591    5.9775 H   0  0  0  0  0
   11.5262    2.6855    6.1029 H   0  0  0  0  0
   10.0886    2.7928    4.1341 H   0  0  0  0  0
   15.7893    3.3217    3.5083 H   0  0  0  0  0
   15.6517    4.5114    4.8012 H   0  0  0  0  0
   15.3366    6.7387    4.4585 H   0  0  0  0  0
   14.4244    7.1275    2.9765 H   0  0  0  0  0
   16.5331    7.4252    1.6615 H   0  0  0  0  0
   17.2490    7.8143    3.2524 H   0  0  0  0  0
   17.6217    5.1983    2.0114 H   0  0  0  0  0
   17.5708    5.3872    3.7834 H   0  0  0  0  0
    4.6586    5.0332   -2.6402 H   0  0  0  0  0
    3.4966    4.6708   -4.7771 H   0  0  0  0  0
    4.4461    3.1381   -6.4787 H   0  0  0  0  0
    6.5632    1.9299   -6.0103 H   0  0  0  0  0
    7.6627    2.1664   -3.8171 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
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  2  5  1  0  0  0
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  3 40  1  0  0  0
  3 41  1  0  0  0
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  4 43  1  0  0  0
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 36 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1778945

>  <PubChem CID>
54584781

>  <Formula>
C30H32N4O2

>  <Molecular Weight>
480.612000

>  <IUPAC Name>
2-[6-[3-(azetidin-1-ylmethyl)phenyl]-4-oxo-2-phenylquinazolin-3-yl]-N-tert-butylacetamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)NC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2)C3=CC(=CC=C3)CN4CCC4)C5=CC=CC=C5

>  <Isomeric SMILES>
CC(C)(C)NC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2)C3=CC(=CC=C3)CN4CCC4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H32N4O2/c1-30(2,3)32-27(35)20-34-28(22-10-5-4-6-11-22)31-26-14-13-24(18-25(26)29(34)36)23-12-7-9-21(17-23)19-33-15-8-16-33/h4-7,9-14,17-18H,8,15-16,19-20H2,1-3H3,(H,32,35)

>  <InChI Key>
BWYSDXZWYSCBNG-UHFFFAOYSA-N

