Molecule card · MolClass #49149
24821601
24821601: 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
- 24821601Mitochondrial Fusion · compound_name
- MolClass ID
- 49149
- InChIKey
- LJYNXMMMAARRQC-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc5nc(c1ccccc1)c(CN2CCN(CC2)c3ccccc3(F))n5(c4)
- Standard InChI
- InChI=1S/C25H25FN4/c1-19-11-12-24-27-25(20-7-3-2-4-8-20)23(30(24)17-19)18-28-13-15-29(16-14-28)22-10-6-5-9-21(22)26/h2-12,17H,13-16,18H2,1H3
- Stored Murcko scaffold
- n1c2ccccn2c(c1-c3ccccc3)CN4CCN(c5ccccc5)CC4
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.
- 24818782#49196
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 400.492 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.031
- 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 · 24821601