Molecule card · MolClass #35678
24785687
24785687: 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
- 24785687Mitochondrial Fusion · compound_name
- MolClass ID
- 35678
- InChIKey
- JSKSREXPGOAYSY-QSFXBCCZSA-N
- Canonical SMILES
- Cc1ccc(c(c1)C2CC4CN(C)C(=O)C34(CCCN23))n5cccn5
- Standard InChI
- InChI=1S/C20H24N4O/c1-14-5-6-17(24-10-4-8-21-24)16(11-14)18-12-15-13-22(2)19(25)20(15)7-3-9-23(18)20/h4-6,8,10-11,15,18H,3,7,9,12-13H2,1-2H3/t15-,18-,20-/m0/s1
- Stored Murcko scaffold
- n1cccn1-c2ccccc2C3N4CCCC54[CH][N]CC5C3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.432 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.234
- 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 · 24785687