Molecule card · MolClass #39537
14718812
14718812: 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
- 14718812Mitochondrial Fusion · compound_name
- MolClass ID
- 39537
- InChIKey
- RBIZGRHTTSFDPW-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCC(CC1)C3(O)(c4ccccc4(CSc2c3(ccs2)))
- Standard InChI
- InChI=1S/C18H21NOS2/c1-19-9-6-14(7-10-19)18(20)15-5-3-2-4-13(15)12-22-17-16(18)8-11-21-17/h2-5,8,11,14,20H,6-7,9-10,12H2,1H3
- Stored Murcko scaffold
- s1ccc2c1SCc3ccccc3C2C4CCNCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.498 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.846
- 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 · 14718812