Molecule card · MolClass #50310
17517230
17517230: 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
- 17517230Mitochondrial Fusion · compound_name
- MolClass ID
- 50310
- InChIKey
- FDMFBLYSQABNAE-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc3c1CCCCCc1sc3(NC(NC(=O)C2CCCC2)=S)
- Standard InChI
- InChI=1S/C17H21N3OS2/c18-10-13-12-8-2-1-3-9-14(12)23-16(13)20-17(22)19-15(21)11-6-4-5-7-11/h11H,1-9H2,(H2,19,20,21,22)
- Stored Murcko scaffold
- s1c(cc2c1CCCCC2)N[CH]N[CH]C3CCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 125.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.501 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.316
- 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 · 17517230