Molecule card · MolClass #48765
17412714
17412714: 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
- 17412714Mitochondrial Fusion · compound_name
- MolClass ID
- 48765
- InChIKey
- SFUUXISYGXLKHO-HMGLBJTLSA-N
- Canonical SMILES
- C=CCN3C(=O)C(Cc1cccc(c1)Cl)SC3(=NN=Cc2ccco2)
- Standard InChI
- InChI=1S/C18H16ClN3O2S/c1-2-8-22-17(23)16(11-13-5-3-6-14(19)10-13)25-18(22)21-20-12-15-7-4-9-24-15/h2-7,9-10,12,16H,1,8,11H2/b20-12+,21-18+
- Stored Murcko scaffold
- N(N=C1[N][CH]C(S1)Cc2ccccc2)=Cc3occc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.858 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.128
- 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 · 17412714