
 CHEMBL2435853

 80 85  0  0  0  0  0  0  0  0999 V2000
    3.5664    4.5573   -1.6100 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2435853

>  <PubChem CID>
58834906

>  <Formula>
C33H37ClN4O5

>  <Molecular Weight>
605.132000

>  <IUPAC Name>
4-[5-[[4-[(5R)-5-(3-chlorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methylpyridin-2-yl]oxybenzoic acid

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=CC(=N1)OC2=CC=C(C=C2)C(=O)O)CN3CCC(CC3)N4C(CN(C4=O)C5CCOCC5)C6=CC(=CC=C6)Cl

>  <Isomeric SMILES>
CC1=C(C=CC(=N1)OC2=CC=C(C=C2)C(=O)O)CN3CCC(CC3)N4[C@@H](CN(C4=O)C5CCOCC5)C6=CC(=CC=C6)Cl

>  <InChI Std. ID>
InChI=1S/C33H37ClN4O5/c1-22-25(7-10-31(35-22)43-29-8-5-23(6-9-29)32(39)40)20-36-15-11-28(12-16-36)38-30(24-3-2-4-26(34)19-24)21-37(33(38)41)27-13-17-42-18-14-27/h2-10,19,27-28,30H,11-18,20-21H2,1H3,(H,39,40)/t30-/m0/s1

>  <InChI Key>
UFZMURFKAOEOKB-PMERELPUSA-N

