Molecule card · MolClass #41903
4251125
4251125: 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
- 4251125Mitochondrial Fusion · compound_name
- MolClass ID
- 41903
- InChIKey
- LXFNHTGMSGTRCK-UHFFFAOYSA-N
- Canonical SMILES
- CC1CC(C)(C)NC(C)c2ccccc12
- Standard InChI
- InChI=1S/C14H21N/c1-10-9-14(3,4)15-11(2)13-8-6-5-7-12(10)13/h5-8,10-11,15H,9H2,1-4H3
- Stored Murcko scaffold
- c1ccc2c(c1)CNCCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 12.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 203.324 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.645
- 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 · 4251125