Molecule card · MolClass #46238
24781885
24781885: 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
- 24781885Mitochondrial Fusion · compound_name
- MolClass ID
- 46238
- InChIKey
- ACBHCOBQCBCVEY-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCn1cnnn1)Nc2ccccc2(F)
- Standard InChI
- InChI=1S/C10H10FN5O/c11-8-3-1-2-4-9(8)13-10(17)5-6-16-7-12-14-15-16/h1-4,7H,5-6H2,(H,13,17)
- Stored Murcko scaffold
- n1ncn(n1)CC[CH]Nc2ccccc2
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.
- 24793937#48265
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 235.218 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.267
- 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 · 24781885