Molecule card · MolClass #37567
4260107
4260107: 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
- 4260107Mitochondrial Fusion · compound_name
- MolClass ID
- 37567
- InChIKey
- RYNISCXTMBMIEG-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c2csc3ncn4nnnc4(c23)
- Standard InChI
- InChI=1S/C12H7N5S/c1-2-4-8(5-3-1)9-6-18-12-10(9)11-14-15-16-17(11)7-13-12/h1-7H
- Stored Murcko scaffold
- n1nc2c3c(ncn2n1)scc3-c4ccccc4
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.
- 2068190#14718
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.233
- 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 · 4260107