Molecule card · MolClass #42838
24799085
24799085: 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
- 24799085Mitochondrial Fusion · compound_name
- MolClass ID
- 42838
- InChIKey
- JJHNFKUQIGCPRA-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N1CCC(CC1)N3CCN(Cc2cccnc2)CC3(CCO)
- Standard InChI
- InChI=1S/C20H34N4O/c1-17(2)23-9-5-19(6-10-23)24-12-11-22(16-20(24)7-13-25)15-18-4-3-8-21-14-18/h3-4,8,14,17,19-20,25H,5-7,9-13,15-16H2,1-2H3
- Stored Murcko scaffold
- n1cccc(c1)CN2CCN(CC2)C3CCNCC3
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
- 42.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.511 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.129
- 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 · 24799085