Molecule card · MolClass #49586
24794393
24794393: 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
- 24794393Mitochondrial Fusion · compound_name
- MolClass ID
- 49586
- InChIKey
- FTUGVGZFGRNLFM-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)CCNC(Nc2ccc(cc2)Nc3ccccc3)=S
- Standard InChI
- InChI=1S/C21H21N3S/c25-21(22-16-15-17-7-3-1-4-8-17)24-20-13-11-19(12-14-20)23-18-9-5-2-6-10-18/h1-14,23H,15-16H2,(H2,22,24,25)
- Stored Murcko scaffold
- c1ccc(cc1)Nc2ccc(cc2)N[CH]NCCc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.478 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.771
- 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 · 24794393