Molecule card · MolClass #45789
24818578
24818578: 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
- 24818578Mitochondrial Fusion · compound_name
- MolClass ID
- 45789
- InChIKey
- IARZGHXFSNJSSU-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc(NC(=O)CN1CCCC1)c3OC(C)(C)Cc23
- Standard InChI
- InChI=1S/C17H24N2O2/c1-12-6-7-14(16-13(12)10-17(2,3)21-16)18-15(20)11-19-8-4-5-9-19/h6-7H,4-5,8-11H2,1-3H3,(H,18,20)
- Stored Murcko scaffold
- O1c2c(cccc2CC1)N[CH]CN3CCCC3
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
- 3
- 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
- 41.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.382
- 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 · 24818578