Molecule card · MolClass #48884
24841747
24841747: 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
- 24841747Mitochondrial Fusion · compound_name
- MolClass ID
- 48884
- InChIKey
- GGUQPJAJDWJTCO-GOSISDBHSA-N
- Canonical SMILES
- Oc1ccc(cc1)CC3CNC(N3(CCCCC2CCCCC2))=S
- Standard InChI
- InChI=1S/C20H30N2OS/c23-19-11-9-17(10-12-19)14-18-15-21-20(24)22(18)13-5-4-8-16-6-2-1-3-7-16/h9-12,16,18,23H,1-8,13-15H2,(H,21,24)/t18-/m1/s1
- Stored Murcko scaffold
- c1ccc(cc1)CC2N([CH]NC2)CCCCC3CCCCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.532 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.46
- 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 · 24841747