General Information of the Compound
| Compound ID |
CP0189595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2S)-6-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H19ClF3NO5S
|
||||||||||||||||||
| Molecular Weight |
525.932
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CC[C@H]1CN(c2cc(ccc2O1)-c1ccc(Cl)cc1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H19ClF3NO5S/c25-18-7-4-15(5-8-18)16-6-10-22-21(12-16)29(14-19(34-22)9-11-23(30)31)35(32,33)20-3-1-2-17(13-20)24(26,27)28/h1-8,10,12-13,19H,9,11,14H2,(H,30,31)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTELNRNAFFFVKA-IBGZPJMESA-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