Molecule card · MolClass #51917
14721565
14721565: 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
- 14721565Mitochondrial Fusion · compound_name
- MolClass ID
- 51917
- InChIKey
- HOKNGCXZVLALHR-UHFFFAOYSA-N
- Canonical SMILES
- CC(C(=O)NC(c1ccccc1)c2ccccc2)Sc4nc3ccccc3n4(C)
- Standard InChI
- InChI=1S/C24H23N3OS/c1-17(29-24-25-20-15-9-10-16-21(20)27(24)2)23(28)26-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22H,1-2H3,(H,26,28)
- Stored Murcko scaffold
- n1c(SC[CH]NC(c2ccccc2)c3ccccc3)[nH]c4ccccc14
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 401.526 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.858
- 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 · 14721565