Molecule card · MolClass #43617
24832597
24832597: 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
- 24832597Mitochondrial Fusion · compound_name
- MolClass ID
- 43617
- InChIKey
- QETNGKVYKMPUHJ-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)CNC(=O)c2cn(CCC#N)nc2(c1ccc(F)cc1)
- Standard InChI
- InChI=1S/C16H15FN4O3/c1-24-14(22)9-19-16(23)13-10-21(8-2-7-18)20-15(13)11-3-5-12(17)6-4-11/h3-6,10H,2,8-9H2,1H3,(H,19,23)
- Stored Murcko scaffold
- n1[nH]ccc1-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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.293
- 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 · 24832597