Molecule card · MolClass #37813
14739498
14739498: 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
- 14739498Mitochondrial Fusion · compound_name
- MolClass ID
- 37813
- InChIKey
- RMYXFRCJEAPNDU-UHFFFAOYSA-N
- Canonical SMILES
- CCCc2nn(C(=O)c1ccccc1)c3CC(C)(C)CC(=O)c23
- Standard InChI
- InChI=1S/C19H22N2O2/c1-4-8-14-17-15(11-19(2,3)12-16(17)22)21(20-14)18(23)13-9-6-5-7-10-13/h5-7,9-10H,4,8,11-12H2,1-3H3
- Stored Murcko scaffold
- n1cc2[CH]CCCc2n1[CH]c3ccccc3
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.
- 4263151#26687
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 51.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.345
- 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 · 14739498