General Information of the Compound
| Compound ID |
CP0503034
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-Bromo-4-isopropyl-phenyl)-7-(cyclopropylmethyl-propyl-amino)-5-methyl-3H-thiazolo[4,5-d]pyrimidine-2-thione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27BrN4S2
|
||||||||||||||||||
| Molecular Weight |
491.524
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CC1CC1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=S)sc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27BrN4S2/c1-5-10-26(12-15-6-7-15)20-19-21(25-14(4)24-20)27(22(28)29-19)18-9-8-16(13(2)3)11-17(18)23/h8-9,11,13,15H,5-7,10,12H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVAHQUYUMYBUDG-UHFFFAOYSA-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