General Information of the Compound
| Compound ID |
CP0427002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(Bis(2-chloroethyl)amino)-N-(1-naphthyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20Cl2N2O
|
||||||||||||||||||
| Molecular Weight |
387.31
|
||||||||||||||||||
| Canonical SMILES |
ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1cccc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20Cl2N2O/c22-12-14-25(15-13-23)18-10-8-17(9-11-18)21(26)24-20-7-3-5-16-4-1-2-6-19(16)20/h1-11H,12-15H2,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PKAIPZNLOTUQKE-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2