General Information of the Compound
| Compound ID |
CP0906055
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-nitro-4-(pentan-3-ylamino)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H16N2O4
|
||||||||||||||||||
| Molecular Weight |
252.27
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)Nc1ccc(C(=O)O)cc1[N+](=O)[O-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H16N2O4/c1-3-9(4-2)13-10-6-5-8(12(15)16)7-11(10)14(17)18/h5-7,9,13H,3-4H2,1-2H3,(H,15,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
POAMAAURYZLIOI-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