Molecule card · MolClass #48747
14735430
14735430: 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
- 14735430Mitochondrial Fusion · compound_name
- MolClass ID
- 48747
- InChIKey
- DHPOYHPORRQVLA-UHFFFAOYSA-N
- Canonical SMILES
- CCCN2C(=O)CN(C(=O)C2(c1ccc(C)cc1))C3CCCCCC3
- Standard InChI
- InChI=1S/C21H30N2O2/c1-3-14-22-19(24)15-23(18-8-6-4-5-7-9-18)21(25)20(22)17-12-10-16(2)11-13-17/h10-13,18,20H,3-9,14-15H2,1-2H3
- Stored Murcko scaffold
- [N]1[CH]CN([CH]C1c2ccccc2)C3CCCCCC3
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
- 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
- 40.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.476 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.818
- 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 · 14735430