Molecule card · MolClass #14953
2063010
2063010: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 3711714Mitochondrial Fusion · compound_name
- MolClass ID
- 14953
- InChIKey
- QWROAVUJKDEXBU-UHFFFAOYSA-N
- Canonical SMILES
- O=C4CSC(C1CCCCN1)N4(Cc2cn3ccccc3(n2))
- Standard InChI
- InChI=1S/C16H14N4OS/c21-15-11-22-16(13-5-1-3-7-17-13)20(15)10-12-9-19-8-4-2-6-14(19)18-12/h1-9,16H,10-11H2
- Stored Murcko scaffold
- n1ccccc1C2SC[CH]N2Cc3nc4ccccn4c3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.547
- 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.
Auto-fluorescence Prediction
Dataset #13 · 2063010
Mitochondrial Fusion
Dataset #19 · 3711714