Molecule card · MolClass #37714
24782061
24782061: 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
- 24782061Mitochondrial Fusion · compound_name
- MolClass ID
- 37714
- InChIKey
- HISSKCMKLPPMHM-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CCn1cccn1)C(=O)CC3C(=O)NCCN3(CC2CCCCC2)
- Standard InChI
- InChI=1S/C20H33N5O2/c1-2-23(13-14-25-11-6-9-22-25)19(26)15-18-20(27)21-10-12-24(18)16-17-7-4-3-5-8-17/h6,9,11,17-18H,2-5,7-8,10,12-16H2,1H3,(H,21,27)
- Stored Murcko scaffold
- n1cccn1CC[N][CH]CC2[CH]NCCN2CC3CCCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 375.509 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.855
- 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 · 24782061