Molecule card · MolClass #40190
7974059
7974059: 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
- 7974059Mitochondrial Fusion · compound_name
- MolClass ID
- 40190
- InChIKey
- HMVKUDOMJCCSHK-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C4CC3CC(c2ccccc2)N4(O3)
- Standard InChI
- InChI=1S/C18H19NO2/c1-20-15-9-7-14(8-10-15)18-12-16-11-17(19(18)21-16)13-5-3-2-4-6-13/h2-10,16-18H,11-12H2,1H3
- Stored Murcko scaffold
- O1N2C(c3ccccc3)CC1CC2c4ccccc4
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.
- 14724719#32380
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 0
- 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
- 21.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.644
- 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 · 7974059