
 CHEMBL409358

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL409358

>  <PubChem CID>
44452329

>  <Formula>
C29H30FN5O2

>  <Molecular Weight>
499.590000

>  <IUPAC Name>
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-oxo-3-phenylquinazolin-2-yl)methyl]butanamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CCCC(=O)NCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=CC=CC=C5F

>  <Isomeric SMILES>
C1CN(CCN1CCCC(=O)NCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=CC=CC=C5F

>  <InChI Std. ID>
InChI=1S/C29H30FN5O2/c30-24-12-5-7-14-26(24)34-19-17-33(18-20-34)16-8-15-28(36)31-21-27-32-25-13-6-4-11-23(25)29(37)35(27)22-9-2-1-3-10-22/h1-7,9-14H,8,15-21H2,(H,31,36)

>  <InChI Key>
ATMPVQBQLBUPIT-UHFFFAOYSA-N

