Molecule card · MolClass #40458
24808399
24808399: 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
- 24808399Mitochondrial Fusion · compound_name
- MolClass ID
- 40458
- InChIKey
- SKGYLQUYZWRAHH-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)c2nc3c4ccccc4(ccn3(c2(C=O)))
- Standard InChI
- InChI=1S/C19H14N2O2/c1-23-15-8-6-14(7-9-15)18-17(12-22)21-11-10-13-4-2-3-5-16(13)19(21)20-18/h2-12H,1H3
- Stored Murcko scaffold
- n1c(cn2ccc3ccccc3c12)-c4ccccc4
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.
- 24787511#33747
- COc1ccc(cc1OC)c1cn2C=Cc3ccccc3c2n1#151426
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.327 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.839
- 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 · 24808399