Molecule card · MolClass #39806
24821662
24821662: 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
- 24821662Mitochondrial Fusion · compound_name
- MolClass ID
- 39806
- InChIKey
- QRGPXPOQTCSCEF-UHFFFAOYSA-N
- Canonical SMILES
- OC=2C=CN(C(=O)C=2(Cc1c(F)cccc1Cl))C3CCCCCC3
- Standard InChI
- InChI=1S/C19H21ClFNO2/c20-16-8-5-9-17(21)14(16)12-15-18(23)10-11-22(19(15)24)13-6-3-1-2-4-7-13/h5,8-11,13,23H,1-4,6-7,12H2
- Stored Murcko scaffold
- c1ccc(cc1)CC2=CC=CN([CH]2)C3CCCCCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.828 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.838
- 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 · 24821662