Molecule card · MolClass #37323
24792426
24792426: 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
- 24792426Mitochondrial Fusion · compound_name
- MolClass ID
- 37323
- InChIKey
- BCBALTUMYNUUTB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCCn1cc(cn1)NC(=O)c2c(F)cccc2(F)
- Standard InChI
- InChI=1S/C14H13F2N3O3/c15-10-3-1-4-11(16)13(10)14(22)18-9-7-17-19(8-9)6-2-5-12(20)21/h1,3-4,7-8H,2,5-6H2,(H,18,22)(H,20,21)
- Stored Murcko scaffold
- n1cc(c[nH]1)N[CH]c2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.269 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.113
- 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 · 24792426