
 CHEMBL3353000

 55 57  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0
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  4  5  2  0  0  0
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  5  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3353000

>  <PubChem CID>
89900321

>  <Formula>
C23H27ClN2O2

>  <Molecular Weight>
398.931000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C23H27ClN2O2/c1-16-11-17(2)13-19(12-16)14-21(27)26-10-9-23(26,3)22(28)25(4)15-18-5-7-20(24)8-6-18/h5-8,11-13H,9-10,14-15H2,1-4H3

>  <InChI Key>
MBBVGWVPFHDCQH-UHFFFAOYSA-N

