General Information of the Compound
| Compound ID |
CP0149897
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phenoxy]-propoxy}-2-methyl-chroman-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H35ClO5
|
||||||||||||||||||
| Molecular Weight |
487.036
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CCC(CC1)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H35ClO5/c1-27(2)12-9-19(10-13-27)21-6-8-24(23(29)17-21)33-16-4-15-32-22-7-5-20-11-14-28(3,26(30)31)34-25(20)18-22/h5-8,17-19H,4,9-16H2,1-3H3,(H,30,31)/t28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IHLBRRGBRGXQCC-MUUNZHRXSA-N
|
||||||||||||||||||
| 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