General Information of the Compound
| Compound ID |
CP0380416
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-[3-[1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanoylamino]butanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H24N6O7
|
||||||||||||||||||
| Molecular Weight |
424.414
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)CCCNC(=O)CCc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H24N6O7/c1-29-15(26)3-2-6-19-13(25)5-4-10-8-23(17(28)20-16(10)27)14-7-11(21-22-18)12(9-24)30-14/h8,11-12,14,24H,2-7,9H2,1H3,(H,19,25)(H,20,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YFHYVULTUZUOSN-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