Molecule card · MolClass #48743
14744405
14744405: 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
- 14744405Mitochondrial Fusion · compound_name
- MolClass ID
- 48743
- InChIKey
- HHZTWPZPZLDNAK-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2cc(NC(=O)N(CC)C1CCCCC1)c(C)nc2(C)
- Standard InChI
- InChI=1S/C19H29N3O3/c1-5-22(15-10-8-7-9-11-15)19(24)21-17-12-16(18(23)25-6-2)13(3)20-14(17)4/h12,15H,5-11H2,1-4H3,(H,21,24)
- Stored Murcko scaffold
- n1cccc(c1)N[CH][N]C2CCCCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.046
- 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 · 14744405