Molecule card · MolClass #39481
14730111
14730111: 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
- 14730111Mitochondrial Fusion · compound_name
- MolClass ID
- 39481
- InChIKey
- DXNCAHDHRPSVKE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nccc(n1)c2ccc(cc2)n4cnc3ccccc34
- Standard InChI
- InChI=1S/C18H14N4/c1-13-19-11-10-16(21-13)14-6-8-15(9-7-14)22-12-20-17-4-2-3-5-18(17)22/h2-12H,1H3
- Stored Murcko scaffold
- n1cnc(cc1)-c2ccc(cc2)-n3cnc4ccccc43
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.
- 24818920#39434
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 43.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.238
- 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 · 14730111