Molecule card · MolClass #45149
24802310
24802310: 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
- 24802310Mitochondrial Fusion · compound_name
- MolClass ID
- 45149
- InChIKey
- BYZWRNRVHZBGMA-UHFFFAOYSA-N
- Canonical SMILES
- CCC=2CC(O)(c1ccncc1)N(N=2)C(=O)COc3ccccc3(C)
- Standard InChI
- InChI=1S/C19H21N3O3/c1-3-16-12-19(24,15-8-10-20-11-9-15)22(21-16)18(23)13-25-17-7-5-4-6-14(17)2/h4-11,24H,3,12-13H2,1-2H3
- Stored Murcko scaffold
- n1ccc(cc1)C2N(N=CC2)[CH]COc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.241
- 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 · 24802310