Molecule card · MolClass #51857
14725382
14725382: 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
- 14725382Mitochondrial Fusion · compound_name
- MolClass ID
- 51857
- InChIKey
- COYLEYRJZHTLTR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc3c(c(C)nn3(c(N)c1c2ccccc2))c4ccccc4
- Standard InChI
- InChI=1S/C20H18N4/c1-13-17(15-9-5-3-6-10-15)19(21)24-20(22-13)18(14(2)23-24)16-11-7-4-8-12-16/h3-12H,21H2,1-2H3
- Stored Murcko scaffold
- n1cc(cn2ncc(-c3ccccc3)c12)-c4ccccc4
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
- 56.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.744
- 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 · 14725382