Molecule card · MolClass #44024
17506901
17506901: 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
- 17506901Mitochondrial Fusion · compound_name
- MolClass ID
- 44024
- InChIKey
- NCQMCGGQSOSXGZ-UHFFFAOYSA-N
- Canonical SMILES
- C=C(C)CN3C(=O)N(CC1CS1)c2ccccc23
- Standard InChI
- InChI=1S/C14H16N2OS/c1-10(2)7-15-12-5-3-4-6-13(12)16(14(15)17)8-11-9-18-11/h3-6,11H,1,7-9H2,2H3
- Stored Murcko scaffold
- n1cn(c2ccccc12)CC3SC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.845
- 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 · 17506901