Molecule card · MolClass #48853
24818040
24818040: 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
- 24818040Mitochondrial Fusion · compound_name
- MolClass ID
- 48853
- InChIKey
- VFXRHDAIELEMHE-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NNC(=O)c2oc1ccccc1c2n3cccc3)c4ccco4
- Standard InChI
- InChI=1S/C18H13N3O4/c22-17(14-8-5-11-24-14)19-20-18(23)16-15(21-9-3-4-10-21)12-6-1-2-7-13(12)25-16/h1-11H,(H,19,22)(H,20,23)
- Stored Murcko scaffold
- o1cccc1[CH]NN[CH]c2oc3ccccc3c2-n4cccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.77
- 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 · 24818040