Molecule card · MolClass #40706
24783380
24783380: 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
- 24783380Mitochondrial Fusion · compound_name
- MolClass ID
- 40706
- InChIKey
- HYBVRUKONOCKTO-UHFFFAOYSA-N
- Canonical SMILES
- CN3C(=O)C=2C(CC(=O)Nc1ccc(F)cc1)C(=O)NC=2N(C)C3(=O)
- Standard InChI
- InChI=1S/C16H15FN4O4/c1-20-13-12(15(24)21(2)16(20)25)10(14(23)19-13)7-11(22)18-9-5-3-8(17)4-6-9/h3-6,10H,7H2,1-2H3,(H,18,22)(H,19,23)
- Stored Murcko scaffold
- n1cnc2N[CH]C(c2c1)C[CH]Nc3ccccc3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.535
- 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 · 24783380