Molecule card · MolClass #38859
4254763
4254763: 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
- 4254763Mitochondrial Fusion · compound_name
- MolClass ID
- 38859
- InChIKey
- PTZLZRVMYVUCNL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(no1)NC(=O)c2cnn3cccnc23
- Standard InChI
- InChI=1S/C11H9N5O2/c1-7-5-9(15-18-7)14-11(17)8-6-13-16-4-2-3-12-10(8)16/h2-6H,1H3,(H,14,15,17)
- Stored Murcko scaffold
- n1occc1N[CH]c2cnn3cccnc23
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.222 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.711
- 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 · 4254763