
 CHEMBL1778939

 66 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1778939

>  <PubChem CID>
54580830

>  <Formula>
C30H30N4O2

>  <Molecular Weight>
478.596000

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

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(C1)CC2=CC=CC(=C2)C3=CC4=C(C=C3)N=C(N(C4=O)CC(=O)NCC5CC5)C6=CC=CC=C6

>  <Isomeric SMILES>
C1CN(C1)CC2=CC=CC(=C2)C3=CC4=C(C=C3)N=C(N(C4=O)CC(=O)NCC5CC5)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C30H30N4O2/c35-28(31-18-21-10-11-21)20-34-29(23-7-2-1-3-8-23)32-27-13-12-25(17-26(27)30(34)36)24-9-4-6-22(16-24)19-33-14-5-15-33/h1-4,6-9,12-13,16-17,21H,5,10-11,14-15,18-20H2,(H,31,35)

>  <InChI Key>
AUCAWWLYHRHMIO-UHFFFAOYSA-N

