Molecule card · MolClass #36591
24811963
24811963: 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
- 24811963Mitochondrial Fusion · compound_name
- MolClass ID
- 36591
- InChIKey
- LSWAZMKSILSKQI-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc2c1CCCCc1sc2N4C(=O)Nc3ccccc3N4(O)
- Standard InChI
- InChI=1S/C16H14N4O2S/c17-9-11-10-5-1-4-8-14(10)23-15(11)19-16(21)18-12-6-2-3-7-13(12)20(19)22/h2-3,6-7,22H,1,4-5,8H2,(H,18,21)
- Stored Murcko scaffold
- s1c(cc2c1CCCC2)N3[CH]Nc4ccccc4N3
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.
- 17509934#37792
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.115
- 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 · 24811963