General Information of the Compound
| Compound ID |
CP0405494
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(diaminomethylidene)-5-(2,5-dichlorophenyl)-3-piperidin-1-ylfuran-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
381.263
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)NC(=O)c1oc(cc1N1CCCCC1)-c1cc(Cl)ccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18Cl2N4O2/c18-10-4-5-12(19)11(8-10)14-9-13(23-6-2-1-3-7-23)15(25-14)16(24)22-17(20)21/h4-5,8-9H,1-3,6-7H2,(H4,20,21,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLNFKGLEIXQKNH-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