Molecule card · MolClass #46347
17505114
17505114: 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
- 17505114Mitochondrial Fusion · compound_name
- MolClass ID
- 46347
- InChIKey
- YDXHKFKFGSAHPR-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccccc4(NC(=O)C3=C(C)NC1=C(C(=O)N(C)C(=O)N1(C))C3(c2ccc(F)cc2))
- Standard InChI
- InChI=1S/C24H23FN4O3/c1-13-7-5-6-8-17(13)27-22(30)18-14(2)26-21-20(23(31)29(4)24(32)28(21)3)19(18)15-9-11-16(25)12-10-15/h5-12,19,26H,1-4H3,(H,27,30)
- Stored Murcko scaffold
- n1cnc2NC=C([CH]Nc3ccccc3)C(c4ccccc4)c2c1
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 434.464 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.469
- 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 · 17505114