General Information of the Compound
| Compound ID |
CP0466563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,6-Dichloro-phenyl)-5-(2-isopropoxy-phenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid 2-dimethylamino-ethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29Cl2N3O3S
|
||||||||||||||||||
| Molecular Weight |
546.52
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29Cl2N3O3S/c1-16(2)35-21-12-7-6-9-18(21)25-23(26(33)34-14-13-31(4)5)17(3)30-27-32(25)15-22(36-27)24-19(28)10-8-11-20(24)29/h6-12,15-16,25H,13-14H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KTYIETCDDNNOLD-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