Molecule card · MolClass #15172
1985034
1985034: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24812183Mitochondrial Fusion · compound_name
- MolClass ID
- 15172
- InChIKey
- KFRIGOBBELDORW-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)CN3c1ccccc1C2NC(=O)CC(C)N23
- Standard InChI
- InChI=1S/C14H13N3O3/c1-9-7-12(18)15-14-10-5-3-4-6-11(10)16(17(9)14)8-13(19)20-2/h3-7H,8H2,1-2H3
- Stored Murcko scaffold
- N=1[CH]C=CN2Nc3ccccc3C12
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
- 6
- 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
- 43.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.272 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.757
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1985034
Mitochondrial Fusion
Dataset #19 · 24812183