Molecule card · MolClass #38447
14731705
14731705: 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
- 14731705Mitochondrial Fusion · compound_name
- MolClass ID
- 38447
- InChIKey
- QZQACWNROHCLSE-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc3c(c1)ccc2nnc(n23)SCc4ccc5OCOc5(c4)
- Standard InChI
- InChI=1S/C18H13N3O2S/c1-2-4-14-13(3-1)6-8-17-19-20-18(21(14)17)24-10-12-5-7-15-16(9-12)23-11-22-15/h1-9H,10-11H2
- Stored Murcko scaffold
- n1nc2ccc3ccccc3n2c1SCc4ccc5OCOc5c4
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
- 73.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.381 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.816
- 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 · 14731705