
 CHEMBL1778934

 72 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1778934

>  <PubChem CID>
54585721

>  <Formula>
C32H34N4O2

>  <Molecular Weight>
506.650000

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

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(C=C3)N=C(N(C4=O)CC(=O)NCC5CC5)C6=CC=CC=C6

>  <Isomeric SMILES>
C1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(C=C3)N=C(N(C4=O)CC(=O)NCC5CC5)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C32H34N4O2/c37-30(33-20-23-9-10-23)22-36-31(26-7-3-1-4-8-26)34-29-16-15-27(19-28(29)32(36)38)25-13-11-24(12-14-25)21-35-17-5-2-6-18-35/h1,3-4,7-8,11-16,19,23H,2,5-6,9-10,17-18,20-22H2,(H,33,37)

>  <InChI Key>
APLNTDBKSIRJBX-UHFFFAOYSA-N

