General Information of the Compound
| Compound ID |
CP0776418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-Chloro-6-(2-methylpropyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid tris(hydroxymethyl)aminomethane salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H27ClN2O7
|
||||||||||||||||||
| Molecular Weight |
418.874
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Cc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl.NC(CO)(CO)CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H16ClNO4.C4H11NO3/c1-8(2)5-9-6-12-11(7-10(9)15)16(14(19)20-12)4-3-13(17)18;5-4(1-6,2-7)3-8/h6-8H,3-5H2,1-2H3,(H,17,18);6-8H,1-3,5H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBRAQYIDJZZLOM-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