General Information of the Compound
| Compound ID |
CP0370437
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-nitro-N-[3-nitro-5-(4-methoxyphenoxy)phenyl]-1-methyl-1H-pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15N5O7
|
||||||||||||||||||
| Molecular Weight |
413.346
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Oc2cc(NC(=O)c3nn(C)cc3[N+]([O-])=O)cc(c2)[N+]([O-])=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15N5O7/c1-21-10-16(23(27)28)17(20-21)18(24)19-11-7-12(22(25)26)9-15(8-11)30-14-5-3-13(29-2)4-6-14/h3-10H,1-2H3,(H,19,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FRZIAIPAFVZFID-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: PT06033, Microphthalmia-associated transcription factor