Molecule card · MolClass #51941
7977466
7977466: 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
- 7977466Mitochondrial Fusion · compound_name
- MolClass ID
- 51941
- InChIKey
- BJVRTNTVXIZAOI-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C(NC(=O)C23(CC1CC(CC(C1)C2)C3))C(=O)NC4=NCCS4
- Standard InChI
- InChI=1S/C19H29N3O2S/c1-11(2)15(16(23)22-18-20-3-4-25-18)21-17(24)19-8-12-5-13(9-19)7-14(6-12)10-19/h11-15H,3-10H2,1-2H3,(H,21,24)(H,20,22,23)
- Stored Murcko scaffold
- N1=C(SCC1)N[CH]CN[CH]C23CC4CC(CC(C4)C2)C3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.519 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.34
- 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 · 7977466