General Information of the Compound
| Compound ID |
CP0568652
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-fluoro-N-[2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-pentan-2-yloxybenzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C29H30FN3O3S2
|
||||||||||||||||||
| Molecular Weight |
551.709
|
||||||||||||||||||
| Canonical SMILES |
CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30FN3O3S2/c1-4-8-18(2)36-22-12-13-23(24(30)16-22)28(35)32-21-11-14-25-26(15-21)38-29(33-25)37-17-27(34)31-19(3)20-9-6-5-7-10-20/h5-7,9-16,18-19H,4,8,17H2,1-3H3,(H,31,34)(H,32,35)/t18?,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BODLIHUBSYQAEF-GGYWPGCISA-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