
 CHEMBL3353479

 63 66  0  0  0  0  0  0  0  0999 V2000
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    5.4320    8.7551    2.3548 H   0  0  0  0  0
    3.7482    7.3836    3.5400 H   0  0  0  0  0
    3.1815    5.1262    2.7275 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3353479

>  <PubChem CID>
89900378

>  <Formula>
C25H28ClN3O4S2

>  <Molecular Weight>
534.086000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C25H28ClN3O4S2/c1-25(11-13-29(25)23(30)15-19-17-34-22-6-3-2-5-21(19)22)24(31)28(12-4-14-35(27,32)33)16-18-7-9-20(26)10-8-18/h2-3,5-10,17H,4,11-16H2,1H3,(H2,27,32,33)

>  <InChI Key>
LSBMNXSDPKXNQH-UHFFFAOYSA-N

