Molecule card · MolClass #49731
24784487
24784487: 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
- 24784487Mitochondrial Fusion · compound_name
- MolClass ID
- 49731
- InChIKey
- QIVZCLUERXKILL-UHFFFAOYSA-N
- Canonical SMILES
- c1cc6OCOc6(cc1C2C=C(N=C(N2)S)C45(CC3CC(CC(C3)C4)C5))
- Standard InChI
- InChI=1S/C21H24N2O2S/c26-20-22-16(15-1-2-17-18(6-15)25-11-24-17)7-19(23-20)21-8-12-3-13(9-21)5-14(4-12)10-21/h1-2,6-7,12-14,16H,3-5,8-11H2,(H2,22,23,26)
- Stored Murcko scaffold
- N1=CNC(C=C1C23CC4CC(CC(C4)C2)C3)c5ccc6OCOc6c5
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.494 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.705
- 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 · 24784487