Molecule card · MolClass #51954
7977242
7977242: 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
- 7977242Mitochondrial Fusion · compound_name
- MolClass ID
- 51954
- InChIKey
- DCBZLHDBPKSMPE-UHFFFAOYSA-N
- Canonical SMILES
- Cc4cc(C)n(CC(O)CN3c1ccccc1Sc2ccccc23)n4
- Standard InChI
- InChI=1S/C20H21N3OS/c1-14-11-15(2)23(21-14)13-16(24)12-22-17-7-3-5-9-19(17)25-20-10-6-4-8-18(20)22/h3-11,16,24H,12-13H2,1-2H3
- Stored Murcko scaffold
- n1cccn1CCCN2c3ccccc3Sc4ccccc42
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.
- 14732351#51665
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.467 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.222
- 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 · 7977242