Molecule card · MolClass #36117
24799086
24799086: 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
- 24799086Mitochondrial Fusion · compound_name
- MolClass ID
- 36117
- InChIKey
- NJOCPEWZAWYBAN-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)=CCN1CCN(CC1(CCO))Cc2cccn2c3ncccn3
- Standard InChI
- InChI=1S/C20H29N5O/c1-17(2)6-11-24-13-12-23(15-18(24)7-14-26)16-19-5-3-10-25(19)20-21-8-4-9-22-20/h3-6,8-10,18,26H,7,11-16H2,1-2H3
- Stored Murcko scaffold
- n1cccnc1-n2cccc2CN3CCNCC3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.478 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.415
- 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 · 24799086