1-(1H-Indole-3-Carbonyl)-9H-Pyrido[3,4-B]Indole-3-Carboxylic Acid
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1910719 | |
| PubChem: | 56649543 | |
| IUPAC: | 1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid | |
| Standard InChI: | InChI=1S/C21H13N3O3/c25-20(14-10-22-15-7-3-1-6-12(14)15)19-18-13(9-17(24-19)21(26)27)11-5-2-4-8-16(11)23-18/h1-10,22-23H,(H,26,27) | |
| Standard InChI Key: | XAJFCGSSMHQTIO-UHFFFAOYSA-N | |
| SMILES: | OC(=O)c1nc(C(=O)c2c[nH]c3c2cccc3)c2c(c1)c1ccccc1[nH]2 | |
Molecular propeties
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| AlogP: | 4.13 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 5 | |
| Molecular Weight: | 355.1 | |
| Topological polar surface area: | 98.8 | |
| Number of aromatic rings: | 5 | |
| Fsp3: | 0 | |
| Number of carbons: | 21 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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