Molecule card · MolClass #48010
3717002
3717002: 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
- 3717002Mitochondrial Fusion · compound_name
- MolClass ID
- 48010
- InChIKey
- RRSKULFYMOHAAL-UHFFFAOYSA-N
- Canonical SMILES
- C3CCc4nnc(c2c(c1ccccc1s2)Cl)n4(CC3)
- Standard InChI
- InChI=1S/C15H14ClN3S/c16-13-10-6-3-4-7-11(10)20-14(13)15-18-17-12-8-2-1-5-9-19(12)15/h3-4,6-7H,1-2,5,8-9H2
- Stored Murcko scaffold
- n1nc2n(c1-c3sc4ccccc4c3)CCCCC2
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
- 2
- 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
- 58.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.811 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.989
- 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 · 3717002