General Information of the Compound
| Compound ID |
CP0455050
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 4-[4-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H28F3N5O4S
|
||||||||||||||||||
| Molecular Weight |
611.646
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(nc(n3)C3=CCN(CC3)C(=O)OC(C)(C)C)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H28F3N5O4S/c1-17(39)34-27-37-25-22(6-5-7-23(25)43-27)41-24-16-21(18-8-10-20(11-9-18)30(31,32)33)35-26(36-24)19-12-14-38(15-13-19)28(40)42-29(2,3)4/h5-12,16H,13-15H2,1-4H3,(H,34,37,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CMZKNMDGKXXRFF-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