General Information of the Compound
| Compound ID |
CP0087503
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[(1R,2R)-2-[(3,5-difluoro-4-methylsulfonylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]-5-(methoxymethyl)pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29F2N3O4S
|
||||||||||||||||||
| Molecular Weight |
481.565
|
||||||||||||||||||
| Canonical SMILES |
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1cc(F)c(c(F)c1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29F2N3O4S/c1-31-12-16-10-26-23(27-11-16)28-5-3-17(4-6-28)19-9-18(19)14-32-13-15-7-20(24)22(21(25)8-15)33(2,29)30/h7-8,10-11,17-19H,3-6,9,12-14H2,1-2H3/t18-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKMHLQPMGIELJW-RBUKOAKNSA-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