
 CHEMBL3353471

 65 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3353471

>  <PubChem CID>
68176356

>  <Formula>
C26H32ClN3O3

>  <Molecular Weight>
470.010000

>  <IUPAC Name>
N-(4-amino-4-oxobutyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carboxamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=CC(=C1)CC(=O)N2CCC2(C)C(=O)N(CCCC(=O)N)CC3=CC=C(C=C3)Cl)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)CC(=O)N2CCC2(C)C(=O)N(CCCC(=O)N)CC3=CC=C(C=C3)Cl)C

>  <InChI Std. ID>
InChI=1S/C26H32ClN3O3/c1-18-13-19(2)15-21(14-18)16-24(32)30-12-10-26(30,3)25(33)29(11-4-5-23(28)31)17-20-6-8-22(27)9-7-20/h6-9,13-15H,4-5,10-12,16-17H2,1-3H3,(H2,28,31)

>  <InChI Key>
IFUFIGXXAQIMFC-UHFFFAOYSA-N

