General Information of the Compound
| Compound ID |
CP0670655
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Sodium salt 6-{3-[bis-(4-fluoro-phenyl)-methyl]-1-isopropyl-naphthalen-2-yloxy}-3,5-dihydroxy-hexanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H31F2NaO5
|
||||||||||||||||||
| Molecular Weight |
556.581
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1c(OCC(O)C[C@@H](O)CC(=O)[O-])c(C(c2ccc(F)cc2)c2ccc(F)cc2)cc2ccccc12.[Na+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H32F2O5.Na/c1-19(2)30-27-6-4-3-5-22(27)15-28(32(30)39-18-26(36)16-25(35)17-29(37)38)31(20-7-11-23(33)12-8-20)21-9-13-24(34)14-10-21;/h3-15,19,25-26,31,35-36H,16-18H2,1-2H3,(H,37,38);/q;+1/p-1/t25-,26?;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XACMVNVZYXZPQD-FJGRWCOESA-M
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound