Molecule card · MolClass #47599
4259795
4259795: 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
- 4259795Mitochondrial Fusion · compound_name
- MolClass ID
- 47599
- InChIKey
- NTSCNXBLLONPBI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2NC(CC(c2(c1))N3CCCC3(=O))c4ccco4
- Standard InChI
- InChI=1S/C18H20N2O2/c1-12-6-7-14-13(10-12)16(20-8-2-5-18(20)21)11-15(19-14)17-4-3-9-22-17/h3-4,6-7,9-10,15-16,19H,2,5,8,11H2,1H3
- Stored Murcko scaffold
- o1cccc1C2Nc3ccccc3C(N4[CH]CCC4)C2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.384
- 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 · 4259795