Molecule card · MolClass #47760
851231
851231: 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
- 851231Mitochondrial Fusion · compound_name
- MolClass ID
- 47760
- InChIKey
- OPDFOHDEMLOLAT-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn3c(O)cc(Cc1ccccc1)nc3(c2(C#N))
- Standard InChI
- InChI=1S/C15H12N4O/c1-10-13(9-16)15-17-12(8-14(20)19(15)18-10)7-11-5-3-2-4-6-11/h2-6,8,20H,7H2,1H3
- Stored Murcko scaffold
- n1ccc2nc(ccn12)Cc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.527
- 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 · 851231