Molecule card · MolClass #46761
17410960
17410960: 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
- 17410960Mitochondrial Fusion · compound_name
- MolClass ID
- 46761
- InChIKey
- KNPLWQIDOMNDFF-AUEPDCJTSA-N
- Canonical SMILES
- O=C(CC=NOCc1c(cccc1Cl)Cl)c3cnc(c2ccccc2)s3
- Standard InChI
- InChI=1S/C19H14Cl2N2O2S/c20-15-7-4-8-16(21)14(15)12-25-23-10-9-17(24)18-11-22-19(26-18)13-5-2-1-3-6-13/h1-8,10-11H,9,12H2/b23-10+
- Stored Murcko scaffold
- N(OCc1ccccc1)=CC[CH]c2sc(nc2)-c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 405.299 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.076
- 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 · 17410960