Molecule card · MolClass #41267
7977956
7977956: 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
- 7977956Mitochondrial Fusion · compound_name
- MolClass ID
- 41267
- InChIKey
- MKHVRXTUXNLZRI-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c1c(C)n2Cc3ccccc3(Cc2(c1(C(=O)OC)))
- Standard InChI
- InChI=1S/C17H17NO4/c1-10-14(16(19)21-2)15(17(20)22-3)13-8-11-6-4-5-7-12(11)9-18(10)13/h4-7H,8-9H2,1-3H3
- Stored Murcko scaffold
- c1ccc2c(c1)Cc3cccn3C2
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
- 57.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.099
- 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 · 7977956