Molecule card · MolClass #38576
24824491
24824491: 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
- 24824491Mitochondrial Fusion · compound_name
- MolClass ID
- 38576
- InChIKey
- MGGRLTZQWBSYNP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(n1)n2cnc(c2)C(=O)NNS(=O)(=O)c3ccc4ccccc4(c3)
- Standard InChI
- InChI=1S/C20H17N5O3S/c1-14-5-4-8-19(22-14)25-12-18(21-13-25)20(26)23-24-29(27,28)17-10-9-15-6-2-3-7-16(15)11-17/h2-13,24H,1H3,(H,23,26)
- Stored Murcko scaffold
- n1ccccc1-n2cnc([CH]NNSc3ccc4ccccc4c3)c2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 114.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 407.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.041
- 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 · 24824491