Molecule card · MolClass #39214
14719357
14719357: 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
- 14719357Mitochondrial Fusion · compound_name
- MolClass ID
- 39214
- InChIKey
- RERQDENPVRSMPR-UHFFFAOYSA-N
- Canonical SMILES
- N#CC3=C(N)Oc1cc(N)ccc1C3(c2cccnc2)
- Standard InChI
- InChI=1S/C15H12N4O/c16-7-12-14(9-2-1-5-19-8-9)11-4-3-10(17)6-13(11)20-15(12)18/h1-6,8,14H,17-18H2
- Stored Murcko scaffold
- n1cccc(c1)C2C=COc3ccccc32
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.
- 24780592#47823
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.831
- 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 · 14719357