General Information of the Compound
| Compound ID |
CP0462046
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-N-[(E)-[4-(cyclopentylsulfonylmethyl)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
470.978
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(CS(=O)(=O)C2CCCC2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23ClN2O4S/c25-22-13-16(11-12-23(22)28)24(29)27-26-14-17-9-10-18(21-8-4-3-7-20(17)21)15-32(30,31)19-5-1-2-6-19/h3-4,7-14,19,28H,1-2,5-6,15H2,(H,27,29)/b26-14+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXNOWUAXELEINC-VULFUBBASA-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