Molecule card · MolClass #41497
14745223
14745223: 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
- 14745223Mitochondrial Fusion · compound_name
- MolClass ID
- 41497
- InChIKey
- UKHWNEVMQNLLNJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N2CC(=O)C(=C2(N))c4nc3ccccc3n4(C)
- Standard InChI
- InChI=1S/C19H18N4O/c1-12-6-5-7-13(10-12)23-11-16(24)17(18(23)20)19-21-14-8-3-4-9-15(14)22(19)2/h3-10H,11,20H2,1-2H3
- Stored Murcko scaffold
- n1c2ccccc2[nH]c1C3=CN(c4ccccc4)C[CH]3
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
- 4
- 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
- 64.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.482
- 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 · 14745223