Molecule card · MolClass #41409
7974251
7974251: 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
- 7974251Mitochondrial Fusion · compound_name
- MolClass ID
- 41409
- InChIKey
- IVACVBDVLXOAKB-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CSC=1NC(=O)CC(C=1(C#N))c2ccc(C)s2
- Standard InChI
- InChI=1S/C15H16N2O3S2/c1-3-20-14(19)8-21-15-11(7-16)10(6-13(18)17-15)12-5-4-9(2)22-12/h4-5,10H,3,6,8H2,1-2H3,(H,17,18)
- Stored Murcko scaffold
- s1cccc1C2C=CN[CH]C2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 132.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.432 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.29
- 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 · 7974251