Molecule card · MolClass #38649
24822310
24822310: 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
- 24822310Mitochondrial Fusion · compound_name
- MolClass ID
- 38649
- InChIKey
- RFBOEEZDDFUMSB-UHFFFAOYSA-N
- Canonical SMILES
- Fc1cccc(F)c1N3C(CN2CCOCC2)=CSC3=S
- Standard InChI
- InChI=1S/C14H14F2N2OS2/c15-11-2-1-3-12(16)13(11)18-10(9-21-14(18)20)8-17-4-6-19-7-5-17/h1-3,9H,4-8H2
- Stored Murcko scaffold
- O1CCN(CC2=CS[CH]N2c3ccccc3)CC1
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.403 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.642
- 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 · 24822310