
 CHEMBL3353475

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3353475

>  <PubChem CID>
89900365

>  <Formula>
C30H34ClN3O4S

>  <Molecular Weight>
568.129000

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

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(CCN1C(=O)CC2=CSC3=CC=CC=C32)C(=O)N(CCCC(=O)N4CCOCC4)CC5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
CC1(CCN1C(=O)CC2=CSC3=CC=CC=C32)C(=O)N(CCCC(=O)N4CCOCC4)CC5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C30H34ClN3O4S/c1-30(12-14-34(30)28(36)19-23-21-39-26-6-3-2-5-25(23)26)29(37)33(20-22-8-10-24(31)11-9-22)13-4-7-27(35)32-15-17-38-18-16-32/h2-3,5-6,8-11,21H,4,7,12-20H2,1H3

>  <InChI Key>
JCCWKDCSIWNMHF-UHFFFAOYSA-N

