General Information of the Compound
| Compound ID |
CP0354626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2S)-2-[[6-[(2-aminopyrimidin-4-yl)methoxy]-7-chloro-4-methoxy-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22ClN5O3S
|
||||||||||||||||||
| Molecular Weight |
435.937
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCc2ccnc(N)n2)c(Cl)c2sc(N[C@H]3CCCC[C@@H]3O)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22ClN5O3S/c1-27-14-8-13(28-9-10-6-7-22-18(21)23-10)15(20)17-16(14)25-19(29-17)24-11-4-2-3-5-12(11)26/h6-8,11-12,26H,2-5,9H2,1H3,(H,24,25)(H2,21,22,23)/t11-,12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTKUVLWIEWNEAC-RYUDHWBXSA-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