Molecule card · MolClass #1343
Antazoline hydrochloride
Antazoline 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
- Antazoline hydrochlorideFlucanozole Synergizer · compound_name
- MolClass ID
- 1343
- InChIKey
- REYFJDPCWQRWAA-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)CN(CC2=NCCN2)c3ccccc3
- Standard InChI
- InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
- Stored Murcko scaffold
- N1=C(NCC1)CN(c2ccccc2)Cc3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.373
- 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 · Antazoline hydrochloride
BetaCell Transdifferentiation
Dataset #11 · 746