Molecule card · MolClass #42271
14727809
14727809: 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
- 14727809Mitochondrial Fusion · compound_name
- MolClass ID
- 42271
- InChIKey
- ZDLCYTDOPMUUEJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c2c(cc(c1ccccc1)s2)N=C4CCCN34
- Standard InChI
- InChI=1S/C15H12N2OS/c18-15-14-11(16-13-7-4-8-17(13)15)9-12(19-14)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
- Stored Murcko scaffold
- N=1c2cc(sc2[CH]N3C1CCC3)-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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 60.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.831
- 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 · 14727809