Molecule card · MolClass #48173
14718747
14718747: 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
- 14718747Mitochondrial Fusion · compound_name
- MolClass ID
- 48173
- InChIKey
- ILBMCVMIAUSTNM-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(nn2(CC(=O)N1CCSCC1))C(F)F
- Standard InChI
- InChI=1S/C11H15F2N3OS/c1-8-6-9(11(12)13)14-16(8)7-10(17)15-2-4-18-5-3-15/h6,11H,2-5,7H2,1H3
- Stored Murcko scaffold
- n1cccn1C[CH]N2CCSCC2
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
- 3
- 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
- 63.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.466
- 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 · 14718747