Molecule card · MolClass #51883
14723822
14723822: 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
- 14723822Mitochondrial Fusion · compound_name
- MolClass ID
- 51883
- InChIKey
- FSXQCTWKDDGIGU-UHFFFAOYSA-N
- Canonical SMILES
- CCCn3nnc(NC(=O)c1ccc(o1)c2cccc(c2)Cl)n3
- Standard InChI
- InChI=1S/C15H14ClN5O2/c1-2-8-21-19-15(18-20-21)17-14(22)13-7-6-12(23-13)10-4-3-5-11(16)9-10/h3-7,9H,2,8H2,1H3,(H,17,19,22)
- Stored Murcko scaffold
- n1nc(n[nH]1)N[CH]c2oc(cc2)-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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.757 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.524
- 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 · 14723822