Molecule card · MolClass #16290
2066277
2066277: 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
- 24836514Mitochondrial Fusion · compound_name
- MolClass ID
- 16290
- InChIKey
- SZSBFKKJKKYCBQ-RQZCQDPDSA-N
- Canonical SMILES
- O=C3Oc1ccccc1C(O)C3(C=NC2CCCNC2)
- Standard InChI
- InChI=1S/C15H10N2O3/c18-14-11-5-1-2-6-13(11)20-15(19)12(14)9-17-10-4-3-7-16-8-10/h1-9,18H/b17-9+
- Stored Murcko scaffold
- n1cccc(N=CC=2[CH]Oc3ccccc3C2)c1
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.
No other molecules currently have this stored scaffold.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.252 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.77
- 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.
Auto-fluorescence Prediction
Dataset #13 · 2066277
Mitochondrial Fusion
Dataset #19 · 24836514