Molecule card · MolClass #1624
Dyclonine hydrochloride
Dyclonine hydrochloride: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Dyclonine hydrochlorideFlucanozole Synergizer · compound_name
- MolClass ID
- 1624
- InChIKey
- BZEWSEKUUPWQDQ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2
- Standard InChI
- InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]CCN2CCCCC2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 103737203#25149
- Cl.CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1#155343
- Cl.CC(CN1CCCCC1)C(=O)c1ccc(C)cc1#156390
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.413 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.711
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Flucanozole Synergizer
Dataset #3 · Dyclonine hydrochloride
BetaCell Transdifferentiation
Dataset #11 · 1240