Molecule card · MolClass #42302
7977375
7977375: 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
- 7977375Mitochondrial Fusion · compound_name
- MolClass ID
- 42302
- InChIKey
- KURIEOKOZGEUGI-UHFFFAOYSA-N
- Canonical SMILES
- CCSC=2NC(=O)C(C#N)C1(CCCCC1)C=2(C#N)
- Standard InChI
- InChI=1S/C14H17N3OS/c1-2-19-13-11(9-16)14(6-4-3-5-7-14)10(8-15)12(18)17-13/h10H,2-7H2,1H3,(H,17,18)
- Stored Murcko scaffold
- C1=CC2(C[CH]N1)CCCCC2
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.
- 7972898#41028
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.371 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.94
- 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 · 7977375