
 CHEMBL395975

 78 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL395975

>  <PubChem CID>
23626900

>  <Formula>
C31H37ClN4O4S

>  <Molecular Weight>
597.171000

>  <IUPAC Name>
7-chloro-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCC(C1)(C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCN3CCOCC3)NC(=O)C4=CC5=C(S4)C(=CC=C5)Cl

>  <Isomeric SMILES>
C1CCC(C1)(C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCCCN3CCOCC3)NC(=O)C4=CC5=C(S4)C(=CC=C5)Cl

>  <InChI Std. ID>
InChI=1S/C31H37ClN4O4S/c32-24-11-6-10-23-21-26(41-27(23)24)29(38)35-31(12-4-5-13-31)30(39)34-25(20-22-8-2-1-3-9-22)28(37)33-14-7-15-36-16-18-40-19-17-36/h1-3,6,8-11,21,25H,4-5,7,12-20H2,(H,33,37)(H,34,39)(H,35,38)/t25-/m1/s1

>  <InChI Key>
JGPVMVGMLHDLCW-RUZDIDTESA-N

