General Information of the Compound
| Compound ID |
CP0453556
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(diaminomethylidene)-3-methylsulfonyl-4-(1-propanoylpiperidin-4-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H24N4O4S
|
||||||||||||||||||
| Molecular Weight |
380.47
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N1CCC(CC1)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H24N4O4S/c1-3-15(22)21-8-6-11(7-9-21)13-5-4-12(16(23)20-17(18)19)10-14(13)26(2,24)25/h4-5,10-11H,3,6-9H2,1-2H3,(H4,18,19,20,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGLLOZFTMLKSGQ-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