Molecule card · MolClass #51304
17386189
17386189: 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
- 17386189Mitochondrial Fusion · compound_name
- MolClass ID
- 51304
- InChIKey
- HXBWIWVTSHBOCO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)C(=O)c4cnc2ccccc2c4(c3ccccc3)
- Standard InChI
- InChI=1S/C23H17NO/c1-16-8-7-11-18(14-16)23(25)20-15-24-21-13-6-5-12-19(21)22(20)17-9-3-2-4-10-17/h2-15H,1H3
- Stored Murcko scaffold
- n1cc([CH]c2ccccc2)c(-c3ccccc3)c4ccccc14
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
- 2
- 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
- 29.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.056
- 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 · 17386189