Molecule card · MolClass #44638
7968252
7968252: 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
- 7968252Mitochondrial Fusion · compound_name
- MolClass ID
- 44638
- InChIKey
- YFILQGOSMMYHAX-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccc4nc(NC(=O)Cn1cc2CCCCCc2(n1))sc4(c3)
- Standard InChI
- InChI=1S/C18H20N4OS/c1-12-7-8-15-16(9-12)24-18(19-15)20-17(23)11-22-10-13-5-3-2-4-6-14(13)21-22/h7-10H,2-6,11H2,1H3,(H,19,20,23)
- Stored Murcko scaffold
- n1c(sc2ccccc12)N[CH]Cn3nc4c(c3)CCCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.444 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.185
- 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 · 7968252