General Information of the Compound
| Compound ID |
CP0421133
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)-N-[(5-nitrothiophen-2-yl)methyl]methanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16ClN3O2S2
|
||||||||||||||||||
| Molecular Weight |
429.954
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(CN(Cc2nc3ccccc3s2)Cc2ccc(Cl)cc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16ClN3O2S2/c21-15-7-5-14(6-8-15)11-23(12-16-9-10-20(27-16)24(25)26)13-19-22-17-3-1-2-4-18(17)28-19/h1-10H,11-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHFHZQANHHCMNS-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