Molecule card · MolClass #51821
14726961
14726961: 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
- 14726961Mitochondrial Fusion · compound_name
- MolClass ID
- 51821
- InChIKey
- CZUOQFOYBRXZRA-UHFFFAOYSA-N
- Canonical SMILES
- C1CCC2(CC1)(CCCN(C2)C(c4nnnn4(C3CCCC3))c5cccs5)
- Standard InChI
- InChI=1S/C21H31N5S/c1-4-11-21(12-5-1)13-7-14-25(16-21)19(18-10-6-15-27-18)20-22-23-24-26(20)17-8-2-3-9-17/h6,10,15,17,19H,1-5,7-9,11-14,16H2
- Stored Murcko scaffold
- n1nc(n(n1)C2CCCC2)C(c3sccc3)N4CCCC5(C4)CCCCC5
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 385.571 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.79
- 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 · 14726961