Molecule card · MolClass #51000
17412000
17412000: 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
- 17412000Mitochondrial Fusion · compound_name
- MolClass ID
- 51000
- InChIKey
- QCSGFAKKUXADFZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc4cc(C)c(OC2(OC(=O)c1ccccc12)(c3ccccc3))c(C)c4
- Standard InChI
- InChI=1S/C23H20O3/c1-15-13-16(2)21(17(3)14-15)25-23(18-9-5-4-6-10-18)20-12-8-7-11-19(20)22(24)26-23/h4-14H,1-3H3
- Stored Murcko scaffold
- O1[CH]c2ccccc2C1(Oc3ccccc3)c4ccccc4
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.
- 17412876#29559
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
- 35.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.065
- 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 · 17412000