Molecule card · MolClass #47554
4244208
4244208: 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
- 4244208Mitochondrial Fusion · compound_name
- MolClass ID
- 47554
- InChIKey
- RLAVVRLPQNZIAN-UDWIEESQSA-N
- Canonical SMILES
- ON=Cc1ccc(cn1)C(=O)NCCCNC2CCCCC2
- Standard InChI
- InChI=1S/C16H24N4O2/c21-16(13-7-8-15(12-20-22)19-11-13)18-10-4-9-17-14-5-2-1-3-6-14/h7-8,11-12,14,17,22H,1-6,9-10H2,(H,18,21)/b20-12+
- Stored Murcko scaffold
- n1cccc(c1)[CH]NCCCNC2CCCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.003
- 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 · 4244208