Search summary:
Session ID: 242f5a9b964b8484ec69106d9f42da69
Search Type: drug
Started at: 2010-03-21 11:46:04
Finished at: 2010-03-21 11:47:23
| Field | Result | Source |
|---|---|---|
| Name | ||
| 5340733 | External | |
| Drugbank ID | ||
| Not Available | Not Applicable | |
| Description | ||
| Not Available | Not Applicable | |
| Chemical Kingdom | ||
| Organic | BioSpider | |
| Chemical Class | ||
| Not Available | Not Applicable | |
| Chemical Species | ||
| alkyl aryl ether | Checkmol | |
| aromatic compound | Checkmol | |
| carboxylic acid | Checkmol | |
| heterocyclic compound | Checkmol | |
| oxo(het)arene | Checkmol | |
| secondary carboxylic acid amide | Checkmol | |
| thioxo(het)arene | Checkmol | |
| Synonym | ||
| Not Available | Not Applicable | |
| Brand Mixture | ||
| Not Available | Not Applicable | |
| CAS | ||
| 5554-74-5 | PubChem | |
| InChI Identifier | ||
InChI=1/C24H24N2O5S2/c1-31-17-12-10-16(11-13-17)15-20-22(28)26(24 (32)33-20)14-6-2-3-9-21(27)25-19-8-5-4-7-18(19)23(29)30/h4-5,7-8, 10-13,15H,2-3,6,9,14H2,1H3,(H,25,27)(H,29,30)/b20-15- |
World Wide Molecular Matrix | |
| IUPAC | ||
| 2-[6-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid | PubChem | |
| Chemical Formula | ||
| C24H24N2O5S2 | PubChem | |
| Chemical Structure | ||
 |
Molconvert | |
| Average Molecular Weight (g/mol) | ||
| 484.587760 | BioSpider | |
| Monoisotopic Molecular Weight (g/mol) | ||
| 484.112660 | BioSpider | |
| SMILES (Isomeric) | ||
COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)NC3=CC=CC=C3C(=O)O |
PubChem | |
| SMILES (Canonical) | ||
COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)NC3=CC=CC=C3C(=O)O |
PubChem | |
| Kegg Drug | ||
| Not Available | Not Applicable | |
| Kegg Compound | ||
| Not Available | Not Applicable | |
| Pubchem Compound ID | ||
| 5340733 | PubChem | |
| Pubchem Substance ID | ||
| 11574302 | Pubchem | |
| 17446872 | Pubchem | |
| 25677261 | Pubchem | |
| 3202135 | Pubchem | |
| 3354850 | Pubchem | |
| 39313161 | Pubchem | |
| 3952168 | Pubchem | |
| 8075789 | Pubchem | |
| 80908506 | Pubchem | |
| 87996241 | Pubchem | |
| OMIM ID | ||
| Not Available | Not Applicable | |
| ChEBI | ||
| Not Available | Not Applicable | |
| BioCyc | ||
| Not Available | Not Applicable | |
| PharmGKB | ||
| Not Available | Not Applicable | |
| HET ID | ||
| Not Available | Not Applicable | |
| DPD ID | ||
| Not Available | Not Applicable | |
| Rxlist Link | ||
| Not Available | Not Applicable | |
| Wikipedia | ||
| Not Available | Not Applicable | |
| Pdr Health Link | ||
| Not Available | Not Applicable | |
| Melting Point | ||
| Not Available | Not Applicable | |
| State | ||
| Not Available | Not Applicable | |
| MSDS Link | ||
| Not Available | Not Applicable | |
| FDA Label | ||
| Not Available | Not Applicable | |
| Experimental Water Solubility | ||
| Not Available | Not Applicable | |
| Predicted Water Solubility | ||
| 0.00073 mg/mL [Predicted by ALOGPS] | Alogps | |
| Experimental LogP | ||
| Not Available | Not Applicable | |
| Predicted LogP | ||
| 4.35 [Predicted by ALOGPS] | Alogps | |
| pKa | ||
| Not Available | Not Applicable | |
| SDF File | ||
| 1269193577.sdf | Pubchem | |
| Mol File | ||
| 1269193569.mol | Molconvert | |
| Pdb File | ||
| 1269193624.pdb | Molconvert | |
| Mass Spec File | ||
| Not Available | Not Applicable | |
| Associated Disorder | ||
| Not Available | Not Applicable | |
| Pathway | ||
| Not Available | Not Applicable | |
| Category | ||
| Not Available | Not Applicable | |
| ATC Code | ||
| Not Available | Not Applicable | |
| AHFS Code | ||
| Not Available | Not Applicable | |
| Schedule | ||
| Not Available | Not Applicable | |
| Indication | ||
| Not Available | Not Applicable | |
| Pharmacology | ||
| Not Available | Not Applicable | |
| Mechanism Of Action | ||
| Not Available | Not Applicable | |
| Absorption | ||
| Not Available | Not Applicable | |
| Protein Binding | ||
| Not Available | Not Applicable | |
| Half Life | ||
| Not Available | Not Applicable | |
| Biotransformation | ||
| Not Available | Not Applicable | |
| Toxicity | ||
| Not Available | Not Applicable | |
| Dosage | ||
| Not Available | Not Applicable | |
| Patient Information | ||
| Not Available | Not Applicable | |
| Interactions | ||
| Not Available | Not Applicable | |
| Contraindications | ||
| Not Available | Not Applicable | |
| Targets | ||
| Not Available | Not Applicable |