General Information of the Compound
| Compound ID |
CP0396383
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-chloro-6-[(1R)-1-(1,3-oxazol-2-yl)ethoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24ClN3O9
|
||||||||||||||||||
| Molecular Weight |
473.866
|
||||||||||||||||||
| Canonical SMILES |
NC(CO)(CO)CO.C[C@@H](Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl)c1ncco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H13ClN2O6.C4H11NO3/c1-8(14-17-3-5-22-14)23-11-7-12-10(6-9(11)16)18(15(21)24-12)4-2-13(19)20;5-4(1-6,2-7)3-8/h3,5-8H,2,4H2,1H3,(H,19,20);6-8H,1-3,5H2/t8-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLAFKPWZLDSPFO-DDWIOCJRSA-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