Molecule card · MolClass #36295
14742357
14742357: 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
- 14742357Mitochondrial Fusion · compound_name
- MolClass ID
- 36295
- InChIKey
- RRFTZHGCFIRVKX-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c3NC1(CCCCCC1)NC(=O)c3(c(C)s2)
- Standard InChI
- InChI=1S/C16H22N2O3S/c1-3-21-15(20)13-12-11(10(2)22-13)14(19)18-16(17-12)8-6-4-5-7-9-16/h17H,3-9H2,1-2H3,(H,18,19)
- Stored Murcko scaffold
- s1cc2[CH]NC3(Nc2c1)CCCCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.424 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.494
- 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 · 14742357