Molecule card · MolClass #41501
14735191
14735191: 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
- 14735191Mitochondrial Fusion · compound_name
- MolClass ID
- 41501
- InChIKey
- VLLUAGUUGDVAEW-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccccc1C3CC(=O)NC2=C3(C(=O)N(C)C(=O)N2(C))
- Standard InChI
- InChI=1S/C17H19N3O4/c1-4-24-12-8-6-5-7-10(12)11-9-13(21)18-15-14(11)16(22)20(3)17(23)19(15)2/h5-8,11H,4,9H2,1-3H3,(H,18,21)
- Stored Murcko scaffold
- n1cnc2N[CH]CC(c3ccccc3)c2c1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.351 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.614
- 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 · 14735191