
 CHEMBL2434978

 77 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2434978

>  <PubChem CID>
16041411

>  <Formula>
C32H36N4O4S

>  <Molecular Weight>
572.724000

>  <IUPAC Name>
4-[5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]sulfanylbenzoic acid

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1N2C(CN(C2=O)C3CCOCC3)C4=CC=CC=C4)CC5=CN=C(C=C5)SC6=CC=C(C=C6)C(=O)O

>  <Isomeric SMILES>
C1CN(CCC1N2[C@@H](CN(C2=O)C3CCOCC3)C4=CC=CC=C4)CC5=CN=C(C=C5)SC6=CC=C(C=C6)C(=O)O

>  <InChI Std. ID>
InChI=1S/C32H36N4O4S/c37-31(38)25-7-9-28(10-8-25)41-30-11-6-23(20-33-30)21-34-16-12-27(13-17-34)36-29(24-4-2-1-3-5-24)22-35(32(36)39)26-14-18-40-19-15-26/h1-11,20,26-27,29H,12-19,21-22H2,(H,37,38)/t29-/m0/s1

>  <InChI Key>
BZKHTWAGPLWPPO-LJAQVGFWSA-N

