Molecule card · MolClass #44330
24799915
24799915: 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
- 24799915Mitochondrial Fusion · compound_name
- MolClass ID
- 44330
- InChIKey
- BHRNUPTYGZIEPY-UHFFFAOYSA-N
- Canonical SMILES
- CN4Cc5ccccc5(CC4(CNCc2c(nc1ccccn12)C(=O)N3CCCC3))
- Standard InChI
- InChI=1S/C24H29N5O/c1-27-17-19-9-3-2-8-18(19)14-20(27)15-25-16-21-23(24(30)28-11-6-7-12-28)26-22-10-4-5-13-29(21)22/h2-5,8-10,13,20,25H,6-7,11-12,14-17H2,1H3
- Stored Murcko scaffold
- n1c([CH]N2CCCC2)c(n3ccccc13)CNCC4NCc5ccccc5C4
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
- 52.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 403.521 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.033
- 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 · 24799915