Molecule card · MolClass #44237
24802614
24802614: 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
- 24802614Mitochondrial Fusion · compound_name
- MolClass ID
- 44237
- InChIKey
- CISKFRQDLCWVKU-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)NC=3C(=O)Oc1ccccc1C=3(Nc2ccccc2)
- Standard InChI
- InChI=1S/C17H14N2O3/c1-11(20)18-16-15(19-12-7-3-2-4-8-12)13-9-5-6-10-14(13)22-17(16)21/h2-10,19H,1H3,(H,18,20)
- Stored Murcko scaffold
- O1[CH]C=C(Nc2ccccc2)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.319
- 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 · 24802614