Molecule card · MolClass #37968
7974584
7974584: 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
- 7974584Mitochondrial Fusion · compound_name
- MolClass ID
- 37968
- InChIKey
- KPCXPWQRKNQBMW-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc2c(c1)N=Nn3c4ccccc4(nc23)
- Standard InChI
- InChI=1S/C13H8N4/c1-2-6-10-9(5-1)13-14-11-7-3-4-8-12(11)17(13)16-15-10/h1-8H
- Stored Murcko scaffold
- N1=Nn2c(nc3ccccc32)-c4ccccc14
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.23 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.825
- 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 · 7974584