Molecule card · MolClass #51949
7975306
7975306: 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
- 7975306Mitochondrial Fusion · compound_name
- MolClass ID
- 51949
- InChIKey
- RWTXTYULNIJWJI-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(NCc1ccccc1)nc(n2)c3ccccc3(O)
- Standard InChI
- InChI=1S/C18H17N3O/c1-13-11-17(19-12-14-7-3-2-4-8-14)21-18(20-13)15-9-5-6-10-16(15)22/h2-11,22H,12H2,1H3,(H,19,20,21)
- Stored Murcko scaffold
- n1ccc(nc1-c2ccccc2)NCc3ccccc3
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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.751
- 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 · 7975306