Molecule card · MolClass #44002
24786315
24786315: 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
- 24786315Mitochondrial Fusion · compound_name
- MolClass ID
- 44002
- InChIKey
- KBHMWUDJDKWNHB-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cccn3c(CN(C)C1CCOC1)c(nc23)C(=O)N4CCCCC4
- Standard InChI
- InChI=1S/C20H28N4O2/c1-15-7-6-11-24-17(13-22(2)16-8-12-26-14-16)18(21-19(15)24)20(25)23-9-4-3-5-10-23/h6-7,11,16H,3-5,8-10,12-14H2,1-2H3
- Stored Murcko scaffold
- n1c([CH]N2CCCCC2)c(n3ccccc13)CNC4COCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.463 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.405
- 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 · 24786315