Molecule card · MolClass #36686
4259581
4259581: 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
- 4259581Mitochondrial Fusion · compound_name
- MolClass ID
- 36686
- InChIKey
- ZCFGKXBRAYTGAM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CN3C(=O)n4ncnc4(c2c1CCCCc1sc23))c5ccccc5
- Standard InChI
- InChI=1S/C19H16N4O2S/c24-14(12-6-2-1-3-7-12)10-22-18-16(13-8-4-5-9-15(13)26-18)17-20-11-21-23(17)19(22)25/h1-3,6-7,11H,4-5,8-10H2
- Stored Murcko scaffold
- n1cnn2[CH]N(c3sc4c(c3-c12)CCCC4)C[CH]c5ccccc5
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.214
- 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 · 4259581