General Information of the Compound
| Compound ID |
CP0045708
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)propylamino)thiazol-5-yl)benzo[d]thiazol-2(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17F3N4OS2
|
||||||||||||||||||
| Molecular Weight |
450.511
|
||||||||||||||||||
| Canonical SMILES |
N[C@H](CNc1ncc(s1)-c1ccc2[nH]c(=O)sc2c1)Cc1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17F3N4OS2/c21-20(22,23)13-4-1-11(2-5-13)7-14(24)9-25-18-26-10-17(29-18)12-3-6-15-16(8-12)30-19(28)27-15/h1-6,8,10,14H,7,9,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACASJCMNZMOGPH-AWEZNQCLSA-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