Molecule card · MolClass #45234
24796034
24796034: 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
- 24796034Mitochondrial Fusion · compound_name
- MolClass ID
- 45234
- InChIKey
- JFTJURXXWDEBAZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(OC=2C(=O)c3ccccc3(OC=2(c1ccco1)))c4cccnc4
- Standard InChI
- InChI=1S/C19H11NO5/c21-16-13-6-1-2-7-14(13)24-17(15-8-4-10-23-15)18(16)25-19(22)12-5-3-9-20-11-12/h1-11H
- Stored Murcko scaffold
- n1cccc(c1)[CH]OC=2[CH]c3ccccc3OC2c4occc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.907
- 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 · 24796034