General Information of the Compound
| Compound ID |
CP0010835
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Methyl-3-phenyl-isoxazole-4-carboxylic acid [N'-(2,4-dihydroxy-benzoyl)-hydrazinocarbothioyl]-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16N4O5S
|
||||||||||||||||||
| Molecular Weight |
412.427
|
||||||||||||||||||
| Canonical SMILES |
Cc1onc(c1C(=O)NC(=S)NNC(=O)c1ccc(O)cc1O)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16N4O5S/c1-10-15(16(23-28-10)11-5-3-2-4-6-11)18(27)20-19(29)22-21-17(26)13-8-7-12(24)9-14(13)25/h2-9,24-25H,1H3,(H,21,26)(H2,20,22,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHSDAEPNILGNLG-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1