General Information of the Compound
| Compound ID |
CP0410229
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24ClN5O5S
|
||||||||||||||||||
| Molecular Weight |
530.006
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(CN(CC2CCN(C2)C(=O)Nc2ccc(cc2)[N+]([O-])=O)Cc2ccc(Cl)cc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24ClN5O5S/c25-19-3-1-17(2-4-19)13-27(16-22-9-10-23(36-22)30(34)35)14-18-11-12-28(15-18)24(31)26-20-5-7-21(8-6-20)29(32)33/h1-10,18H,11-16H2,(H,26,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMSNBRJIQXKXEE-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