
 CHEMBL398028

 82 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL398028

>  <PubChem CID>
44434204

>  <Formula>
C35H38N4O4S

>  <Molecular Weight>
610.773000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1COCCN1CCCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3(CC4=CC=CC=C4C3)NC(=O)C5=CC6=CC=CC=C6S5

>  <Isomeric SMILES>
C1COCCN1CCCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C3(CC4=CC=CC=C4C3)NC(=O)C5=CC6=CC=CC=C6S5

>  <InChI Std. ID>
InChI=1S/C35H38N4O4S/c40-32(36-15-8-16-39-17-19-43-20-18-39)29(21-25-9-2-1-3-10-25)37-34(42)35(23-27-12-4-5-13-28(27)24-35)38-33(41)31-22-26-11-6-7-14-30(26)44-31/h1-7,9-14,22,29H,8,15-21,23-24H2,(H,36,40)(H,37,42)(H,38,41)/t29-/m1/s1

>  <InChI Key>
HBFPLRNQVZTHGZ-GDLZYMKVSA-N

