Molecule card · MolClass #51126
17406866
17406866: 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
- 17406866Mitochondrial Fusion · compound_name
- MolClass ID
- 51126
- InChIKey
- CVEWHOBPQRANRF-HMMYKYKNSA-N
- Canonical SMILES
- Cc1ncsc1C(=O)N4N=C2C(CCCC2C4(c3ccccc3))=Cc5ccccc5
- Standard InChI
- InChI=1S/C25H23N3OS/c1-17-24(30-16-26-17)25(29)28-23(19-11-6-3-7-12-19)21-14-8-13-20(22(21)27-28)15-18-9-4-2-5-10-18/h2-7,9-12,15-16,21,23H,8,13-14H2,1H3/b20-15+
- Stored Murcko scaffold
- n1csc(c1)[CH]N2N=C3C(=Cc4ccccc4)CCCC3C2c5ccccc5
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 413.537 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.127
- 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 · 17406866