Molecule card · MolClass #39034
14724679
14724679: 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
- 14724679Mitochondrial Fusion · compound_name
- MolClass ID
- 39034
- InChIKey
- XVGNNWYEOHOOTA-UHFFFAOYSA-N
- Canonical SMILES
- OC=2CC(CC3=Nc4ccccc4(NC(c1ccccn1)C=23))c5ccccc5
- Standard InChI
- InChI=1S/C24H21N3O/c28-22-15-17(16-8-2-1-3-9-16)14-21-23(22)24(20-12-6-7-13-25-20)27-19-11-5-4-10-18(19)26-21/h1-13,17,24,27-28H,14-15H2
- Stored Murcko scaffold
- n1ccccc1C2Nc3ccccc3N=C4C2=CCC(c5ccccc5)C4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.444 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.92
- 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 · 14724679