General Information of the Compound
| Compound ID |
CP0428021
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-nitroaniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N4O2
|
||||||||||||||||||
| Molecular Weight |
402.498
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ccc(c(NC(c2ccccc2)c2ccccc2)c1)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N4O2/c1-26-14-16-27(17-15-26)21-12-13-23(28(29)30)22(18-21)25-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24-25H,14-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RHCKSABVOKGXBN-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