Molecule card · MolClass #49775
24782826
24782826: 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
- 24782826Mitochondrial Fusion · compound_name
- MolClass ID
- 49775
- InChIKey
- NTVQZYPWWWYRPV-LDADJPATSA-N
- Canonical SMILES
- CC(=O)N3C(=Cc1ccc(cc1)N(C)C)C(=O)c2ccccc23
- Standard InChI
- InChI=1S/C19H18N2O2/c1-13(22)21-17-7-5-4-6-16(17)19(23)18(21)12-14-8-10-15(11-9-14)20(2)3/h4-12H,1-3H3/b18-12+
- Stored Murcko scaffold
- [N]1C(=Cc2ccccc2)[CH]c3ccccc13
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.322
- 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 · 24782826