Molecule card · MolClass #47154
853101
853101: 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
- 853101Mitochondrial Fusion · compound_name
- MolClass ID
- 47154
- InChIKey
- HRCFPENHHNETSY-UHFFFAOYSA-N
- Canonical SMILES
- O=C4c1ccccc1C(O)(Cc2ccccc2)N4(Cc3ccco3)
- Standard InChI
- InChI=1S/C20H17NO3/c22-19-17-10-4-5-11-18(17)20(23,13-15-7-2-1-3-8-15)21(19)14-16-9-6-12-24-16/h1-12,23H,13-14H2
- Stored Murcko scaffold
- o1cccc1CN2[CH]c3ccccc3C2Cc4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.75
- 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 · 853101