Molecule card · MolClass #36349
24785812
24785812: 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
- 24785812Mitochondrial Fusion · compound_name
- MolClass ID
- 36349
- InChIKey
- SDFPAPGPBNPTCE-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc(CN3CCNC(=O)C3(CC(=O)NCCCn2ncc1ccccc12))o4
- Standard InChI
- InChI=1S/C22H27N5O3/c1-16-7-8-18(30-16)15-26-12-10-24-22(29)20(26)13-21(28)23-9-4-11-27-19-6-3-2-5-17(19)14-25-27/h2-3,5-8,14,20H,4,9-13,15H2,1H3,(H,23,28)(H,24,29)
- Stored Murcko scaffold
- n1cc2ccccc2n1CCCN[CH]CC3[CH]NCCN3Cc4occc4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.482 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.202
- 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 · 24785812