Molecule card · MolClass #36058
14738924
14738924: 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
- 14738924Mitochondrial Fusion · compound_name
- MolClass ID
- 36058
- InChIKey
- BJMBXINYGMLQCJ-UHFFFAOYSA-N
- Canonical SMILES
- OC=2CCCC3=Nc4ccccc4(NC(c1ccncc1)C=23)
- Standard InChI
- InChI=1S/C18H17N3O/c22-16-7-3-6-15-17(16)18(12-8-10-19-11-9-12)21-14-5-2-1-4-13(14)20-15/h1-2,4-5,8-11,18,21-22H,3,6-7H2
- Stored Murcko scaffold
- n1ccc(cc1)C2Nc3ccccc3N=C4C2=CCCC4
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.
- 4251293#40078
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.451
- 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 · 14738924