General Information of the Compound
| Compound ID |
CP0145248
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl (3R)-3-methyl-4-[5-[(5-methylsulfonylpyridin-2-yl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H29N5O5S
|
||||||||||||||||||
| Molecular Weight |
463.56
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cn2)S(C)(=O)=O)cn1)C(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29N5O5S/c1-15-13-25(20(27)31-21(2,3)4)8-9-26(15)19-23-10-17(11-24-19)30-14-16-6-7-18(12-22-16)32(5,28)29/h6-7,10-12,15H,8-9,13-14H2,1-5H3/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RDCJWTSRPRQNRI-OAHLLOKOSA-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