Molecule card · MolClass #41028
7972898
7972898: 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
- 7972898Mitochondrial Fusion · compound_name
- MolClass ID
- 41028
- InChIKey
- LZRLOWGNHYRGTI-UHFFFAOYSA-N
- Canonical SMILES
- C=CCSC=2NC(=O)C(C#N)C1(CCCCC1)C=2(C#N)
- Standard InChI
- InChI=1S/C15H17N3OS/c1-2-8-20-14-12(10-17)15(6-4-3-5-7-15)11(9-16)13(19)18-14/h2,11H,1,3-8H2,(H,18,19)
- 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.
- 7977375#42302
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.382 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.932
- 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 · 7972898