Molecule card · MolClass #51414
14744353
14744353: 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
- 14744353Mitochondrial Fusion · compound_name
- MolClass ID
- 51414
- InChIKey
- MDGGRHZKMXXZRD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c3nnc2CCCCCn23
- Standard InChI
- InChI=1S/C14H17N3/c1-11-6-8-12(9-7-11)14-16-15-13-5-3-2-4-10-17(13)14/h6-9H,2-5,10H2,1H3
- Stored Murcko scaffold
- n1nc2n(c1-c3ccccc3)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.
- 49674299#32228
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 227.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.449
- 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 · 14744353