Molecule card · MolClass #41219
14732920
14732920: 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
- 14732920Mitochondrial Fusion · compound_name
- MolClass ID
- 41219
- InChIKey
- FNSKGQBRWYUMKF-ZPHPHTNESA-N
- Canonical SMILES
- CCCCN2C(=O)C(c1ccccc12)=C4C(=O)N3N=C(C(=O)N=C3S4)c5ccccc5
- Standard InChI
- InChI=1S/C23H18N4O3S/c1-2-3-13-26-16-12-8-7-11-15(16)17(21(26)29)19-22(30)27-23(31-19)24-20(28)18(25-27)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3/b19-17-
- Stored Murcko scaffold
- [N]1[CH]C(=C2SC3=N[CH]C(=NN3[CH]2)c4ccccc4)c5ccccc15
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 430.481 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.219
- 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 · 14732920