Molecule card · MolClass #51844
14725502
14725502: 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
- 14725502Mitochondrial Fusion · compound_name
- MolClass ID
- 51844
- InChIKey
- VUXAVTYNBSRLAE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(nc2cc(nn12)C(=O)N(Cc3ccccc3)Cc4ccccc4)c5ccccc5
- Standard InChI
- InChI=1S/C28H24N4O/c1-21-17-25(24-15-9-4-10-16-24)29-27-18-26(30-32(21)27)28(33)31(19-22-11-5-2-6-12-22)20-23-13-7-3-8-14-23/h2-18H,19-20H2,1H3
- Stored Murcko scaffold
- n1c(ccn2nc(cc12)[CH]N(Cc3ccccc3)Cc4ccccc4)-c5ccccc5
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 432.517 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.768
- 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 · 14725502