Molecule card · MolClass #44674
4261503
4261503: 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
- 4261503Mitochondrial Fusion · compound_name
- MolClass ID
- 44674
- InChIKey
- MNCMTBVYTPCLSJ-UHFFFAOYSA-N
- Canonical SMILES
- COc2cc3c(C)nc4onc(c1ccccc1)c4(c3(cc2(OC)))
- Standard InChI
- InChI=1S/C19H16N2O3/c1-11-13-9-15(22-2)16(23-3)10-14(13)17-18(21-24-19(17)20-11)12-7-5-4-6-8-12/h4-10H,1-3H3
- Stored Murcko scaffold
- n1oc2ncc3ccccc3c2c1-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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- 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
- 57.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.343 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.577
- 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 · 4261503