Molecule card · MolClass #35984
4254729
4254729: 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
- 4254729Mitochondrial Fusion · compound_name
- MolClass ID
- 35984
- InChIKey
- KFBYWUJCHZRDQH-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c4ncnc3nc2CCCn2c34
- Standard InChI
- InChI=1S/C14H12N4/c1-2-5-10(6-3-1)12-13-14(16-9-15-12)17-11-7-4-8-18(11)13/h1-3,5-6,9H,4,7-8H2
- Stored Murcko scaffold
- n1cnc(-c2ccccc2)c3c1nc4n3CCC4
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
- 3
- 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
- 43.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 236.272 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.299
- 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 · 4254729