Molecule card · MolClass #51541
14737447
14737447: 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
- 14737447Mitochondrial Fusion · compound_name
- MolClass ID
- 51541
- InChIKey
- KLSFETDKCPYEJH-KGENOOAVSA-N
- Canonical SMILES
- CC1CCCCN1C(=O)Cn5cc(C=C3C(=O)Nc2ccccc23)c4ccccc45
- Standard InChI
- InChI=1S/C25H25N3O2/c1-17-8-6-7-13-28(17)24(29)16-27-15-18(19-9-3-5-12-23(19)27)14-21-20-10-2-4-11-22(20)26-25(21)30/h2-5,9-12,14-15,17H,6-8,13,16H2,1H3,(H,26,30)/b21-14+
- Stored Murcko scaffold
- c1ccc2C([CH]Nc2c1)=Cc3cn(c4ccccc34)C[CH]N5CCCCC5
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 399.486 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.114
- 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 · 14737447