Molecule card · MolClass #41011
17410030
17410030: 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
- 17410030Mitochondrial Fusion · compound_name
- MolClass ID
- 41011
- InChIKey
- RLVVYWRGYFRTKH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c3c(n1)sc(C(=O)NNS(=O)(=O)c2ccccc2)c3n4cccc4
- Standard InChI
- InChI=1S/C20H18N4O3S2/c1-13-12-14(2)21-20-16(13)17(24-10-6-7-11-24)18(28-20)19(25)22-23-29(26,27)15-8-4-3-5-9-15/h3-12,23H,1-2H3,(H,22,25)
- Stored Murcko scaffold
- n1cccc2c1sc([CH]NNSc3ccccc3)c2-n4cccc4
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.
- 17410013#44234
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 129.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 426.515 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.831
- 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 · 17410030