Molecule card · MolClass #45565
24820029
24820029: 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
- 24820029Mitochondrial Fusion · compound_name
- MolClass ID
- 45565
- InChIKey
- HVRINZSEISPUSB-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1)C(=O)C3CN(C)CC3(c2ccc(cc2)Cl)
- Standard InChI
- InChI=1S/C19H20ClNO2/c1-21-11-17(13-6-8-15(20)9-7-13)18(12-21)19(22)14-4-3-5-16(10-14)23-2/h3-10,17-18H,11-12H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C2CNCC2c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.821 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.517
- 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 · 24820029