Molecule card · MolClass #38115
4242485
4242485: 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
- 4242485Mitochondrial Fusion · compound_name
- MolClass ID
- 38115
- InChIKey
- RFUPNNNARJESAG-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1(OC))C3N4CCCC4(C(=O)N3(c2ccccn2))
- Standard InChI
- InChI=1S/C19H21N3O3/c1-24-15-9-5-7-13(17(15)25-2)18-21-12-6-8-14(21)19(23)22(18)16-10-3-4-11-20-16/h3-5,7,9-11,14,18H,6,8,12H2,1-2H3
- Stored Murcko scaffold
- n1ccccc1N2[CH]C3N(CCC3)C2c4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.33
- 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 · 4242485