Molecule card · MolClass #44728
14737143
14737143: 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
- 14737143Mitochondrial Fusion · compound_name
- MolClass ID
- 44728
- InChIKey
- NHPHSCGKUKUDGB-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc5OCc3cnn(CC(=O)N(Cc1ccco1)C2CCCCC2)c3c5(c4)
- Standard InChI
- InChI=1S/C24H27N3O3/c1-17-9-10-22-21(12-17)24-18(16-30-22)13-25-27(24)15-23(28)26(14-20-8-5-11-29-20)19-6-3-2-4-7-19/h5,8-13,19H,2-4,6-7,14-16H2,1H3
- Stored Murcko scaffold
- n1cc2c(-c3ccccc3OC2)n1C[CH]N(Cc4occc4)C5CCCCC5
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 405.49 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.216
- 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 · 14737143