Molecule card · MolClass #35802
14727736
14727736: 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
- 14727736Mitochondrial Fusion · compound_name
- MolClass ID
- 35802
- InChIKey
- MQMHUHBKPVPFLO-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c4ncnc3cc2CCCn2c34
- Standard InChI
- InChI=1S/C15H13N3/c1-2-5-11(6-3-1)14-15-13(16-10-17-14)9-12-7-4-8-18(12)15/h1-3,5-6,9-10H,4,7-8H2
- Stored Murcko scaffold
- n1cnc(-c2ccccc2)c3c1cc4n3CCC4
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.
- 7973463#26766
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
- 235.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.518
- 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 · 14727736