General Information of the Compound
| Compound ID |
CP0492023
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(cyclopropylmethylamino)methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H13Cl3F3N3S
|
||||||||||||||||||
| Molecular Weight |
430.71
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CNCC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H13Cl3F3N3S/c16-8-3-9(17)12(10(18)4-8)23-14-24-13(15(19,20)21)11(25-14)6-22-5-7-1-2-7/h3-4,7,22H,1-2,5-6H2,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMQSNNPHJNAYEO-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