Search summary:
Session ID: 83233def635af6b8027ab78c3fea6935
Search Type: drug
Started at: 2009-12-10 03:55:29
Finished at: 2009-12-10 03:56:03
| Field | Result | Source |
|---|---|---|
| Name | ||
| Not Available | Not Applicable | |
| Drugbank ID | ||
| Not Available | Not Applicable | |
| Description | ||
| Not Available | Not Applicable | |
| Chemical Kingdom | ||
| Organic | BioSpider | |
| Chemical Class | ||
| Not Available | Not Applicable | |
| Chemical Species | ||
| aromatic compound | Checkmol | |
| carboxylic acid | Checkmol | |
| heterocyclic compound | Checkmol | |
| Synonym | ||
| 5-methyl-4-phenyl-2-pyrrol-1-yl-thiophene-3-carboxylic Acid | Pubchem | |
| Brand Mixture | ||
| Not Available | Not Applicable | |
| CAS | ||
| Not Available | Not Applicable | |
| InChI Identifier | ||
InChI=1/C16H13NO2S/c1-11-13(12-7-3-2-4-8-12)14(16(18)19)15(20-11) 17-9-5-6-10-17/h2-10H,1H3,(H,18,19) |
World Wide Molecular Matrix | |
| IUPAC | ||
| 5-methyl-4-phenyl-2-pyrrol-1-ylthiophene-3-carboxylic acid | PubChem | |
| Chemical Formula | ||
| C16H13NO2S | PubChem | |
| Chemical Structure | ||
 |
PubChem | |
| Average Molecular Weight (g/mol) | ||
| 283.344920 | BioSpider | |
| Monoisotopic Molecular Weight (g/mol) | ||
| 283.066700 | BioSpider | |
| SMILES (Isomeric) | ||
CC1=C(C(=C(S1)N2C=CC=C2)C(=O)O)C3=CC=CC=C3 |
PubChem | |
| SMILES (Canonical) | ||
Cc1c(c(c(s1)n2cccc2)C(=O)[O-])c3ccccc3 |
External | |
| Kegg Drug | ||
| Not Available | Not Applicable | |
| Kegg Compound | ||
| Not Available | Not Applicable | |
| Pubchem Compound ID | ||
| 2748342 | PubChem | |
| Pubchem Substance ID | ||
| 3173138 | Pubchem | |
| 39164113 | Pubchem | |
| 5847618 | Pubchem | |
| 79560361 | Pubchem | |
| 8806147 | 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 | ||
| 0.0791 mg/mL [Predicted by ALOGPS] | Alogps | |
| Experimental LogP | ||
| Not Available | Not Applicable | |
| Predicted LogP | ||
| 4.03 [Predicted by ALOGPS] | Alogps | |
| pKa | ||
| Not Available | Not Applicable | |
| SDF File | ||
| 1260442552.sdf | Pubchem | |
| Mol File | ||
| 1260442545.mol | Molconvert | |
| Pdb File | ||
| 1260442554.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 |