Molecule card · MolClass #45815
14735755
14735755: 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
- 14735755Mitochondrial Fusion · compound_name
- MolClass ID
- 45815
- InChIKey
- RVFNOQRZECLLNS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)N3C(=O)CC(Nc2ccccc2)C3(=O)
- Standard InChI
- InChI=1S/C17H16N2O2/c1-12-7-9-14(10-8-12)19-16(20)11-15(17(19)21)18-13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)NC2[CH]N([CH]C2)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.007
- 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 · 14735755