
 CHEMBL199495

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL199495

>  <PubChem CID>
10094574

>  <Formula>
C27H33FN2O2

>  <Molecular Weight>
436.571000

>  <IUPAC Name>
2-fluoro-6-[[(2R)-2-[(1R)-1-hydroxy-2-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]ethyl]pyrrolidin-1-yl]methyl]phenol

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(C3CCCN3CC4=C(C(=CC=C4)F)O)O

>  <Isomeric SMILES>
CC(C)(CC1=CC2=CC=CC=C2C=C1)NC[C@H]([C@H]3CCCN3CC4=C(C(=CC=C4)F)O)O

>  <InChI Std. ID>
InChI=1S/C27H33FN2O2/c1-27(2,16-19-12-13-20-7-3-4-8-21(20)15-19)29-17-25(31)24-11-6-14-30(24)18-22-9-5-10-23(28)26(22)32/h3-5,7-10,12-13,15,24-25,29,31-32H,6,11,14,16-18H2,1-2H3/t24-,25-/m1/s1

>  <InChI Key>
JKMQBGLZDUBJJR-JWQCQUIFSA-N

