
 CHEMBL3809148

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3809148

>  <PubChem CID>
71224515

>  <Formula>
C32H36FN5O3

>  <Molecular Weight>
557.670000

>  <IUPAC Name>
3-[(4-fluorobenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C32H36FN5O3/c1-23-6-2-3-7-28(23)36-18-20-37(21-19-36)29-14-11-25(31(40)34-15-5-17-38-16-4-8-30(38)39)22-27(29)35-32(41)24-9-12-26(33)13-10-24/h2-3,6-7,9-14,22H,4-5,8,15-21H2,1H3,(H,34,40)(H,35,41)

>  <InChI Key>
AFQSZNHCXMNOHB-UHFFFAOYSA-N

