Molecule card · MolClass #48736
14735468
14735468: 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
- 14735468Mitochondrial Fusion · compound_name
- MolClass ID
- 48736
- InChIKey
- LFTCBTMDLNAUEO-UHFFFAOYSA-N
- Canonical SMILES
- CC3CC(C)CN(CCCNC(=O)CN1N=Cn2cccc2(C1(=O)))C3
- Standard InChI
- InChI=1S/C18H27N5O2/c1-14-9-15(2)11-21(10-14)7-4-6-19-17(24)12-23-18(25)16-5-3-8-22(16)13-20-23/h3,5,8,13-15H,4,6-7,9-12H2,1-2H3,(H,19,24)
- Stored Murcko scaffold
- N1=Cn2cccc2[CH]N1C[CH]NCCCN3CCCCC3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.44 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.89
- 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 · 14735468