Molecule card · MolClass #50855
17415207
17415207: 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
- 17415207Mitochondrial Fusion · compound_name
- MolClass ID
- 50855
- InChIKey
- STUKORAFQWNNRN-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)C(c2ccccc2)c3nc(no3)c4cccnc4
- Standard InChI
- InChI=1S/C20H15N3O/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)20-22-19(23-24-20)17-12-7-13-21-14-17/h1-14,18H
- Stored Murcko scaffold
- n1cccc(c1)-c2noc(n2)C(c3ccccc3)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.
No other molecules currently have this stored scaffold.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.331
- 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 · 17415207