Molecule card · MolClass #44941
24829315
24829315: 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
- 24829315Mitochondrial Fusion · compound_name
- MolClass ID
- 44941
- InChIKey
- BVOZAIMAEGGTCJ-FCQUAONHSA-N
- Canonical SMILES
- CC4=C(N=C1N(CCO)C(=CS1)c2ccccc2)C(=O)N(c3ccccc3)N4(C)
- Standard InChI
- InChI=1S/C22H22N4O2S/c1-16-20(21(28)26(24(16)2)18-11-7-4-8-12-18)23-22-25(13-14-27)19(15-29-22)17-9-5-3-6-10-17/h3-12,15,27H,13-14H2,1-2H3/b23-22-
- Stored Murcko scaffold
- N(C1=CNN([CH]1)c2ccccc2)=C3SC=C(N3)c4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 406.503 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.668
- 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 · 24829315