Cryptopine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1339015 | |
| PubChem: | 72616 | |
| IUPAC: | 6,7-dimethoxy-12-methyl-16,18-dioxa-12-azatetracyclo[12.7.0.04,9.015,19]henicosa-1(14),4,6,8,15(19),20-hexaen-3-one | |
| Standard InChI: | InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3 | |
| Standard InChI Key: | XPOJSWHIKCNLEQ-UHFFFAOYSA-N | |
| SMILES: | COc1cc2C(=O)Cc3ccc4c(c3CN(CCc2cc1OC)C)OCO4 | |
Molecular propeties
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| AlogP: | 2.85 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 369.16 | |
| Topological polar surface area: | 57.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.381 | |
| Number of carbons: | 21 | |