Molecule card · MolClass #43740
14741175
14741175: 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
- 14741175Mitochondrial Fusion · compound_name
- MolClass ID
- 43740
- InChIKey
- OUERQWUIBCAUMO-MRCUWXFGSA-N
- Canonical SMILES
- CN=C3c4cc1cc(ccc1n4(CCN3(Cc2ccccc2)))OC
- Standard InChI
- InChI=1S/C20H21N3O/c1-21-20-19-13-16-12-17(24-2)8-9-18(16)23(19)11-10-22(20)14-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3/b21-20-
- Stored Murcko scaffold
- c1ccc(cc1)CN2[CH]c3cc4ccccc4n3CC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.652
- 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 · 14741175