Molecule card · MolClass #45451
4246390
4246390: 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
- 4246390Mitochondrial Fusion · compound_name
- MolClass ID
- 45451
- InChIKey
- FRGZLXDVWBJHRU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc2c(cnn2(c(O)c1Cl))C(=O)NCCC3=CCCCC3
- Standard InChI
- InChI=1S/C16H19ClN4O2/c1-10-13(17)16(23)21-14(20-10)12(9-19-21)15(22)18-8-7-11-5-3-2-4-6-11/h5,9,23H,2-4,6-8H2,1H3,(H,18,22)
- Stored Murcko scaffold
- n1cccn2ncc([CH]NCCC3=CCCCC3)c12
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.801 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.279
- 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 · 4246390