Molecule card · MolClass #36270
24792627
24792627: 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
- 24792627Mitochondrial Fusion · compound_name
- MolClass ID
- 36270
- InChIKey
- PWTKLSWILOLQHF-UHFFFAOYSA-N
- Canonical SMILES
- NC=4Nc2nc1ccccc1n2C3(CCCC3)N=4
- Standard InChI
- InChI=1S/C13H15N5/c14-11-16-12-15-9-5-1-2-6-10(9)18(12)13(17-11)7-3-4-8-13/h1-2,5-6H,3-4,7-8H2,(H3,14,15,16,17)
- Stored Murcko scaffold
- N1=CNc2nc3ccccc3n2C14CCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 241.292 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.28
- 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 · 24792627