General Information of the Compound
| Compound ID |
CP0282196
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
MLS000595074
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H15N5O7
|
||||||||||||||||||
| Molecular Weight |
437.368
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(Nc3c(cc(cc3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H15N5O7/c1-12-2-6-15(7-3-12)22-20(26)13-4-8-14(9-5-13)21-19-17(24(29)30)10-16(23(27)28)11-18(19)25(31)32/h2-11,21H,1H3,(H,22,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
COHWFKJGCBMCPO-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3