Molecule card · MolClass #40151
14741412
14741412: 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
- 14741412Mitochondrial Fusion · compound_name
- MolClass ID
- 40151
- InChIKey
- NZANEAPUUVIPHO-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)NC(=O)C3CC(=O)n2cnnc2S3
- Standard InChI
- InChI=1S/C13H12N4O3S/c1-20-9-4-2-8(3-5-9)15-12(19)10-6-11(18)17-7-14-16-13(17)21-10/h2-5,7,10H,6H2,1H3,(H,15,19)
- Stored Murcko scaffold
- n1nc2SC([CH]Nc3ccccc3)C[CH]n2c1
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
- 5
- 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
- 111.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.326 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.799
- 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 · 14741412