General Information of the Compound
| Compound ID |
CP0715643
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID49715950
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H9N3O6
|
||||||||||||||||||
| Molecular Weight |
315.241
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H9N3O6/c15-13(18)12-11(7-3-1-2-4-8(7)23-12)16-14(19)9-5-6-10(22-9)17(20)21/h1-6H,(H2,15,18)(H,16,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASYHJCPZWQIFAK-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3