Molecule card · MolClass #47162
4260110
4260110: 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
- 4260110Mitochondrial Fusion · compound_name
- MolClass ID
- 47162
- InChIKey
- RFAVZMIYSKIJAD-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)NC2=NC(=O)CC(N2)C(=O)c3ccccc3
- Standard InChI
- InChI=1S/C19H19N3O2/c1-2-13-8-10-15(11-9-13)20-19-21-16(12-17(23)22-19)18(24)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H2,20,21,22,23)
- Stored Murcko scaffold
- N=1[CH]CC([CH]c2ccccc2)NC1Nc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.743
- 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 · 4260110