Molecule card · MolClass #40486
14727207
14727207: 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
- 14727207Mitochondrial Fusion · compound_name
- MolClass ID
- 40486
- InChIKey
- BVVDNVJWDQLKET-UHFFFAOYSA-N
- Canonical SMILES
- Cn3ncc(C#N)c3(NC(=O)C1CC(=NO1)c2ccc(cc2)Cl)
- Standard InChI
- InChI=1S/C15H12ClN5O2/c1-21-14(10(7-17)8-18-21)19-15(22)13-6-12(20-23-13)9-2-4-11(16)5-3-9/h2-5,8,13H,6H2,1H3,(H,19,22)
- Stored Murcko scaffold
- N=1OC([CH]Nc2ccn[nH]2)CC1c3ccccc3
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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.742 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.528
- 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 · 14727207