Molecule card · MolClass #39474
24798417
24798417: 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
- 24798417Mitochondrial Fusion · compound_name
- MolClass ID
- 39474
- InChIKey
- ZDHOQMNDHRSERR-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CN1CCN(CC1(CCO))Cc2c(F)cccc2Cl
- Standard InChI
- InChI=1S/C17H26ClFN2O/c1-13(2)10-21-8-7-20(11-14(21)6-9-22)12-15-16(18)4-3-5-17(15)19/h3-5,13-14,22H,6-12H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)CN2CCNCC2
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.
- Trimetazidine dihydrochloride#1735
- 24800215#37504
- 24800799#40421
- 4241059#40802
- 24800204#42900
- 24785434#46970
- 24782182#47080
- CC(=O)NC(=O)C(=CN1CCN(CC1)Cc1ccccc1)C#N#154624
- Cl.Cl.COc1ccc(CN2CCNCC2)c(OC)c1OC#155420
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.853 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.963
- 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 · 24798417