
 CHEMBL2059896

 87 93  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2059896

>  <PubChem CID>
24756611

>  <Formula>
C35H43N5O3S

>  <Molecular Weight>
613.821000

>  <IUPAC Name>
N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CSC4=CC=CC=C43)NC(=O)N5CCC6(CC5)CC(=O)NC7=CC=CC=C67

>  <Isomeric SMILES>
C1CCN(CC1)C2CCN(CC2)C(=O)[C@@H](CC3=CSC4=CC=CC=C43)NC(=O)N5CCC6(CC5)CC(=O)NC7=CC=CC=C67

>  <InChI Std. ID>
InChI=1S/C35H43N5O3S/c41-32-23-35(28-9-3-4-10-29(28)36-32)14-20-40(21-15-35)34(43)37-30(22-25-24-44-31-11-5-2-8-27(25)31)33(42)39-18-12-26(13-19-39)38-16-6-1-7-17-38/h2-5,8-11,24,26,30H,1,6-7,12-23H2,(H,36,41)(H,37,43)/t30-/m1/s1

>  <InChI Key>
BPHSSVHADQDIJG-SSEXGKCCSA-N

