
 CHEMBL2435856

 83 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2435856

>  <PubChem CID>
58835217

>  <Formula>
C34H40N4O5

>  <Molecular Weight>
584.717000

>  <IUPAC Name>
4-[6-ethyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]oxybenzoic acid

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC1=C(C=CC(=N1)OC2=CC=C(C=C2)C(=O)O)CN3CCC(CC3)N4C(CN(C4=O)C5CCOCC5)C6=CC=CC=C6

>  <Isomeric SMILES>
CCC1=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

>  <InChI Std. ID>
InChI=1S/C34H40N4O5/c1-2-30-26(10-13-32(35-30)43-29-11-8-25(9-12-29)33(39)40)22-36-18-14-28(15-19-36)38-31(24-6-4-3-5-7-24)23-37(34(38)41)27-16-20-42-21-17-27/h3-13,27-28,31H,2,14-23H2,1H3,(H,39,40)/t31-/m0/s1

>  <InChI Key>
FJAGYOZYOQUDEQ-HKBQPEDESA-N

