Molecule card · MolClass #48900
17403137
17403137: 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
- 17403137Mitochondrial Fusion · compound_name
- MolClass ID
- 48900
- InChIKey
- SKWWQWGQUUXEHB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccccc1c3nc2ccccc2s3)c4cccnc4Cl
- Standard InChI
- InChI=1S/C19H12ClN3OS/c20-17-13(7-5-11-21-17)18(24)22-14-8-2-1-6-12(14)19-23-15-9-3-4-10-16(15)25-19/h1-11H,(H,22,24)
- Stored Murcko scaffold
- n1cccc(c1)[CH]Nc2ccccc2-c3nc4ccccc4s3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.838 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.934
- 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 · 17403137