Molecule card · MolClass #39129
24781255
24781255: 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
- 24781255Mitochondrial Fusion · compound_name
- MolClass ID
- 39129
- InChIKey
- ARBRJDRRZJPSTJ-UHFFFAOYSA-N
- Canonical SMILES
- CC(CCn1cccn1)NC(=O)CCc2nnc(o2)C3CCCCC3
- Standard InChI
- InChI=1S/C18H27N5O2/c1-14(10-13-23-12-5-11-19-23)20-16(24)8-9-17-21-22-18(25-17)15-6-3-2-4-7-15/h5,11-12,14-15H,2-4,6-10,13H2,1H3,(H,20,24)
- Stored Murcko scaffold
- n1nc(oc1CC[CH]NCCCn2nccc2)C3CCCCC3
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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.44 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.689
- 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 · 24781255