Molecule card · MolClass #47125
24825916
24825916: 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
- 24825916Mitochondrial Fusion · compound_name
- MolClass ID
- 47125
- InChIKey
- AUVHGHHJONYERF-UHFFFAOYSA-N
- Canonical SMILES
- O=C4C=C(CSc2nnc(NC1CCCCC1)s2)N=C3N4(C=CS3)
- Standard InChI
- InChI=1S/C15H17N5OS3/c21-12-8-11(17-14-20(12)6-7-22-14)9-23-15-19-18-13(24-15)16-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,18)
- Stored Murcko scaffold
- n1nc(sc1SCC=2N=C3SC=CN3[CH]C2)NC4CCCCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 149.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 379.527 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.164
- 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 · 24825916