Molecule card · MolClass #43076
17410255
17410255: 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
- 17410255Mitochondrial Fusion · compound_name
- MolClass ID
- 43076
- InChIKey
- SYSMQKXLUSPGJY-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc3c(c1)nc(N2CCOCC2)n4c(nnc34)c5ccc(c(c5)Cl)Cl
- Standard InChI
- InChI=1S/C19H15Cl2N5O/c20-14-6-5-12(11-15(14)21)17-23-24-18-13-3-1-2-4-16(13)22-19(26(17)18)25-7-9-27-10-8-25/h1-6,11H,7-10H2
- Stored Murcko scaffold
- n1nc2c3ccccc3nc(n2c1-c4ccccc4)N5CCOCC5
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.
- 17410212#41682
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 400.262 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.94
- 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 · 17410255