General Information of the Compound
| Compound ID |
CP0487631
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-yl]oxymethyl]pyrimidin-2-yl]-3-methylurea
Show/Hide
|
||||||||||||||||||
| Formula |
C21H26N6O4S
|
||||||||||||||||||
| Molecular Weight |
458.544
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)Nc1nccc(COc2cc(OC)c3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N6O4S/c1-22-20(29)27-19-23-8-7-12(24-19)11-31-13-9-16(30-2)18-17(10-13)32-21(26-18)25-14-5-3-4-6-15(14)28/h7-10,14-15,28H,3-6,11H2,1-2H3,(H,25,26)(H2,22,23,24,27,29)/t14-,15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKSKMVMNCUHWCH-GJZGRUSLSA-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 | |||||||||||||||||||
| 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