Molecule card · MolClass #38684
7972508
7972508: 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
- 7972508Mitochondrial Fusion · compound_name
- MolClass ID
- 38684
- InChIKey
- CKMSWRIKDHFUHM-UHFFFAOYSA-N
- Canonical SMILES
- CN4C(=O)C1C=CC4(C2C(=O)N(C(=O)C12)c3ccccc3)
- Standard InChI
- InChI=1S/C16H14N2O3/c1-17-11-8-7-10(14(17)19)12-13(11)16(21)18(15(12)20)9-5-3-2-4-6-9/h2-8,10-13H,1H3
- Stored Murcko scaffold
- [N]1[CH]C2C=CC1C3[CH]N([CH]C23)c4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.013
- 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 · 7972508