General Information of the Compound
| Compound ID |
CP0404471
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Cyano-4-hydroxy-benzoic acid {4-[2-(2-methyl-piperidin-1-yl)-2-oxo-ethyl]-naphthalen-1-ylmethylene}-hydrazide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26N4O3
|
||||||||||||||||||
| Molecular Weight |
454.53
|
||||||||||||||||||
| Canonical SMILES |
CC1CCCCN1C(=O)Cc1ccc(\C=N\NC(=O)c2ccc(O)c(c2)C#N)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26N4O3/c1-18-6-4-5-13-31(18)26(33)15-19-9-10-21(24-8-3-2-7-23(19)24)17-29-30-27(34)20-11-12-25(32)22(14-20)16-28/h2-3,7-12,14,17-18,32H,4-6,13,15H2,1H3,(H,30,34)/b29-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOYOBZXISFCRDD-STBIYBPSSA-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