Molecule card · MolClass #38249
22415754
22415754: 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
- 22415754Mitochondrial Fusion · compound_name
- MolClass ID
- 38249
- InChIKey
- SGXOZPSJEJPCNB-UHFFFAOYSA-N
- Canonical SMILES
- OC=2CCCC3=Nc4cc(ccc4(NC(c1ccccn1)C=23))C(=O)c5ccccc5
- Standard InChI
- InChI=1S/C25H21N3O2/c29-22-11-6-10-19-23(22)24(20-9-4-5-14-26-20)28-18-13-12-17(15-21(18)27-19)25(30)16-7-2-1-3-8-16/h1-5,7-9,12-15,24,28-29H,6,10-11H2
- Stored Murcko scaffold
- n1ccccc1C2Nc3ccc([CH]c4ccccc4)cc3N=C5C2=CCCC5
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.454 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.094
- 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 · 22415754