General Information of the Compound
| Compound ID |
CP0446612
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-3-(4-nitrophenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17N7O4
|
||||||||||||||||||
| Molecular Weight |
431.412
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)Nc1ccc(cc1)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17N7O4/c1-32-17-12-10-15(11-13-17)27-25-20(24-26-27)18-4-2-3-5-19(18)23-21(29)22-14-6-8-16(9-7-14)28(30)31/h2-13H,1H3,(H2,22,23,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WSTBSSVTCOSMPS-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