Molecule card · MolClass #39434
24818920
24818920: 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
- 24818920Mitochondrial Fusion · compound_name
- MolClass ID
- 39434
- InChIKey
- HRVCVRYPQNBZKI-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nccc(n1)c2ccc(cc2)n4cnc3ccccc34
- Standard InChI
- InChI=1S/C17H13N5/c18-17-19-10-9-14(21-17)12-5-7-13(8-6-12)22-11-20-15-3-1-2-4-16(15)22/h1-11H,(H2,18,19,21)
- Stored Murcko scaffold
- n1cnc(cc1)-c2ccc(cc2)-n3cnc4ccccc43
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.
- 14730111#39481
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.319 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.834
- 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 · 24818920