
 CHEMBL65715

 72 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL65715

>  <PubChem CID>
14983499

>  <Formula>
C28H37FN2O4

>  <Molecular Weight>
484.612000

>  <IUPAC Name>
2-[5-[4-[5-(4-fluorophenyl)pentan-2-yl]-2,6-dihydroxyphenyl]-4-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylacetamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(CCCC1=CC=C(C=C1)F)C2=CC(=C(C(=C2)O)C3=C(CCN(C3)CC(=O)NC)C(C)(C)O)O

>  <Isomeric SMILES>
CC(CCCC1=CC=C(C=C1)F)C2=CC(=C(C(=C2)O)C3=C(CCN(C3)CC(=O)NC)C(C)(C)O)O

>  <InChI Std. ID>
InChI=1S/C28H37FN2O4/c1-18(6-5-7-19-8-10-21(29)11-9-19)20-14-24(32)27(25(33)15-20)22-16-31(17-26(34)30-4)13-12-23(22)28(2,3)35/h8-11,14-15,18,32-33,35H,5-7,12-13,16-17H2,1-4H3,(H,30,34)

>  <InChI Key>
BRBLCPVLTMTIQM-UHFFFAOYSA-N

