General Information of the Compound
| Compound ID |
CP0531152
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,4R)-1-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H25BrN4O3S
|
||||||||||||||||||
| Molecular Weight |
457.394
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ncc(Br)cn1)C(=O)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H25BrN4O3S/c1-17(2)13-3-4-18(17,15(24)9-13)12-27(25,26)23-7-5-22(6-8-23)16-20-10-14(19)11-21-16/h10-11,13H,3-9,12H2,1-2H3/t13-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VORLLPAYBNJARZ-FZKQIMNGSA-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