Molecule card · MolClass #41099
4255716
4255716: 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
- 4255716Mitochondrial Fusion · compound_name
- MolClass ID
- 41099
- InChIKey
- ACAPZJMSBGNNHG-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc3ncc(C(=O)Nc1ccccc1)c(C)n3(n2)
- Standard InChI
- InChI=1S/C15H14N4O/c1-10-8-14-16-9-13(11(2)19(14)18-10)15(20)17-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,20)
- Stored Murcko scaffold
- n1cc([CH]Nc2ccccc2)cn3nccc13
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
- 59.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.006
- 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 · 4255716