Molecule card · MolClass #36262
14719183
14719183: 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
- 14719183Mitochondrial Fusion · compound_name
- MolClass ID
- 36262
- InChIKey
- HFJGFIKIJONBNH-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc4c5cccc(C)c5(NC(c1cn(nc1(C))c2ccccc2)n4(n3))
- Standard InChI
- InChI=1S/C22H21N5/c1-14-8-7-11-18-20-12-15(2)24-27(20)22(23-21(14)18)19-13-26(25-16(19)3)17-9-5-4-6-10-17/h4-13,22-23H,1-3H3
- Stored Murcko scaffold
- n1ccc2-c3ccccc3NC(c4cnn(c4)-c5ccccc5)n12
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.436 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.462
- 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 · 14719183