Molecule card · MolClass #42468
24824659
24824659: 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
- 24824659Mitochondrial Fusion · compound_name
- MolClass ID
- 42468
- InChIKey
- FWAPLTHUCJYEHF-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc1ccccn1c2C(=O)NN=C3CCN(C)CC3
- Standard InChI
- InChI=1S/C15H19N5O/c1-11-14(20-8-4-3-5-13(20)16-11)15(21)18-17-12-6-9-19(2)10-7-12/h3-5,8H,6-7,9-10H2,1-2H3,(H,18,21)
- Stored Murcko scaffold
- n1cc([CH]NN=C2CCNCC2)n3ccccc13
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.
- 24811000#39517
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.345 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.99
- 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 · 24824659