Molecule card · MolClass #40135
24780809
24780809: 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
- 24780809Mitochondrial Fusion · compound_name
- MolClass ID
- 40135
- InChIKey
- DVMRNCHNWCMWFX-OWBHPGMISA-N
- Canonical SMILES
- COc4ccc3c(CCC2C3(=NN(C(C)=CC(C)=O)C2(c1ccc(F)cc1)))c4
- Standard InChI
- InChI=1S/C23H23FN2O2/c1-14(12-15(2)27)26-23(16-4-7-18(24)8-5-16)21-10-6-17-13-19(28-3)9-11-20(17)22(21)25-26/h4-5,7-9,11-13,21,23H,6,10H2,1-3H3/b14-12-
- Stored Murcko scaffold
- N=1NC(c2ccccc2)C3C1c4ccccc4CC3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 378.44 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.707
- 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 · 24780809