Molecule card · MolClass #38308
24819378
24819378: 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
- 24819378Mitochondrial Fusion · compound_name
- MolClass ID
- 38308
- InChIKey
- AIBRTPUIDWLUKQ-DHZHZOJOSA-N
- Canonical SMILES
- O=C3CC(=Cc1c(F)cccc1Cl)N2CCC3(CC2)
- Standard InChI
- InChI=1S/C15H15ClFNO/c16-13-2-1-3-14(17)12(13)8-11-9-15(19)10-4-6-18(11)7-5-10/h1-3,8,10H,4-7,9H2/b11-8+
- Stored Murcko scaffold
- c1ccc(cc1)C=C2N3CCC([CH]C2)CC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 20.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.738 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.416
- 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 · 24819378