Molecule card · MolClass #38120
14737323
14737323: 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
- 14737323Mitochondrial Fusion · compound_name
- MolClass ID
- 38120
- InChIKey
- FJLVAZGBOQBQOH-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn3ncc2C(=O)Oc1ccccc1c23)NCCc4ccsc4
- Standard InChI
- InChI=1S/C18H15N3O3S/c22-16(19-7-5-12-6-8-25-11-12)10-21-17-13-3-1-2-4-15(13)24-18(23)14(17)9-20-21/h1-4,6,8-9,11H,5,7,10H2,(H,19,22)
- Stored Murcko scaffold
- n1cc2[CH]Oc3ccccc3-c2n1C[CH]NCCc4cscc4
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.
- 7968993#29673
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.397 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.539
- 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 · 14737323