Molecule card · MolClass #42571
24801321
24801321: 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
- 24801321Mitochondrial Fusion · compound_name
- MolClass ID
- 42571
- InChIKey
- RITVMXBJXBGZHA-WOJGMQOQSA-N
- Canonical SMILES
- CC(=O)NN=C(C)CC(=O)Nc2cccc1CCCCc12
- Standard InChI
- InChI=1S/C16H21N3O2/c1-11(18-19-12(2)20)10-16(21)17-15-9-5-7-13-6-3-4-8-14(13)15/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,17,21)(H,19,20)/b18-11+
- Stored Murcko scaffold
- c1ccc2c(c1)CCCC2
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.
- LOPAC 00256#366
- LOPAC 00967#512
- LOPAC 00536#518
- LOPAC 01341#1152
- nadolol#1244
- 21145-77-7#2487
- NOCAS_M277#5170
- 119-64-2#5881
- 42200-33-9#7517
- 11957726#9431
- 11957570#9461
- 11957554#9465
- 10236521#9510
- 49674672#25815
- 24835144#40620
- 24818726#44178
- Br.NC1CCc2cc(O)c(O)cc2C1#153715
- Br.CCCN(CCC)C1CCc2ccc(O)cc2C1#153746
- Br.CCCN(CCC)C1CCc2cccc(O)c2C1#153836
- Cl.CCCN(CCC)C1CCc2c(F)ccc(O)c2C1#153848
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.552
- 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 · 24801321