Molecule card · MolClass #48944
24841502
24841502: 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
- 24841502Mitochondrial Fusion · compound_name
- MolClass ID
- 48944
- InChIKey
- VTJDICLTSJPXBA-BWKNWUBXSA-N
- Canonical SMILES
- OCc1ccc(cc1)COC2CC(C=C(O2)C(=O)Nc3ccccc3)c4ccc(cc4)C(F)(F)F
- Standard InChI
- InChI=1S/C27H24F3NO4/c28-27(29,30)22-12-10-20(11-13-22)21-14-24(26(33)31-23-4-2-1-3-5-23)35-25(15-21)34-17-19-8-6-18(16-32)7-9-19/h1-14,21,25,32H,15-17H2,(H,31,33)/t21-,25+/m1/s1
- Stored Murcko scaffold
- O1C([CH]Nc2ccccc2)=CC(c3ccccc3)CC1OCc4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 483.48 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.397
- 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 · 24841502