Molecule card · MolClass #41388
14741393
14741393: 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
- 14741393Mitochondrial Fusion · compound_name
- MolClass ID
- 41388
- InChIKey
- BYVAJCFCGNOIFP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)cc(c1)N2C(=O)CC(C2(=O))n3nc(C)cc3(C)
- Standard InChI
- InChI=1S/C17H19N3O2/c1-10-5-11(2)7-14(6-10)19-16(21)9-15(17(19)22)20-13(4)8-12(3)18-20/h5-8,15H,9H2,1-4H3
- Stored Murcko scaffold
- n1cccn1C2[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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.361
- 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 · 14741393