
 CHEMBL3353480

 66 69  0  0  0  0  0  0  0  0999 V2000
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    6.2736    7.4262    3.6552 H   0  0  0  0  0
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    3.1920    4.5049    3.0674 H   0  0  0  0  0
    4.0886   -0.4170   -4.3207 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3353480

>  <PubChem CID>
89901463

>  <Formula>
C26H30ClN3O4S2

>  <Molecular Weight>
548.113000

>  <IUPAC Name>
1-[2-(1-benzothiophen-3-yl)acetyl]-N-[(4-chlorophenyl)methyl]-2-methyl-N-[3-(methylsulfamoyl)propyl]azetidine-2-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1(CCN1C(=O)CC2=CSC3=CC=CC=C32)C(=O)N(CCCS(=O)(=O)NC)CC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CC1(CCN1C(=O)CC2=CSC3=CC=CC=C32)C(=O)N(CCCS(=O)(=O)NC)CC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C26H30ClN3O4S2/c1-26(12-14-30(26)24(31)16-20-18-35-23-7-4-3-6-22(20)23)25(32)29(13-5-15-36(33,34)28-2)17-19-8-10-21(27)11-9-19/h3-4,6-11,18,28H,5,12-17H2,1-2H3

>  <InChI Key>
DMUXQODQMSAVEP-UHFFFAOYSA-N

