General Information of the Compound
| Compound ID |
CP0155684
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-nitrophenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H15N5O4
|
||||||||||||||||||
| Molecular Weight |
389.371
|
||||||||||||||||||
| Canonical SMILES |
Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)cc3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H15N5O4/c21-19-18-16(5-2-6-17(18)29-24-19)12-7-9-13(10-8-12)22-20(26)23-14-3-1-4-15(11-14)25(27)28/h1-11H,(H2,21,24)(H2,22,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SECLOTHQGDJSCB-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