Molecule card · MolClass #41095
3715050
3715050: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 3715050Mitochondrial Fusion · compound_name
- MolClass ID
- 41095
- InChIKey
- FLHOTAOCVSITAB-UHFFFAOYSA-N
- Canonical SMILES
- CC2=NC(=O)C=C(c1ccccc1)N2c3ccccc3
- Standard InChI
- InChI=1S/C17H14N2O/c1-13-18-17(20)12-16(14-8-4-2-5-9-14)19(13)15-10-6-3-7-11-15/h2-12H,1H3
- Stored Murcko scaffold
- N=1[CH]C=C(c2ccccc2)N(C1)c3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.394
- 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.
Mitochondrial Fusion
Dataset #19 · 3715050