Molecule card · MolClass #46017
24784600
24784600: 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
- 24784600Mitochondrial Fusion · compound_name
- MolClass ID
- 46017
- InChIKey
- WHFUUBIBAQPPGV-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc2ccccc2(COC(=O)c1cccnc1(N))
- Standard InChI
- InChI=1S/C14H11N3O2/c15-8-10-4-1-2-5-11(10)9-19-14(18)12-6-3-7-17-13(12)16/h1-7H,9H2,(H2,16,17)
- Stored Murcko scaffold
- n1cccc(c1)[CH]OCc2ccccc2
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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.257 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.479
- 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 · 24784600