Molecule card · MolClass #49693
24786990
24786990: 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
- 24786990Mitochondrial Fusion · compound_name
- MolClass ID
- 49693
- InChIKey
- JSMAWDRIJKXYML-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c4cc(C(F)F)n5ncc(C(=O)N2CCc3ccccc3(C2))c5(n4)
- Standard InChI
- InChI=1S/C24H20F2N4O/c1-15-6-8-17(9-7-15)20-12-21(22(25)26)30-23(28-20)19(13-27-30)24(31)29-11-10-16-4-2-3-5-18(16)14-29/h2-9,12-13,22H,10-11,14H2,1H3
- Stored Murcko scaffold
- n1cc([CH]N2Cc3ccccc3CC2)c4nc(ccn14)-c5ccccc5
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.
- 24786993#49694
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 50.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.44 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.718
- 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 · 24786990