Molecule card · MolClass #44451
7971786
7971786: 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
- 7971786Mitochondrial Fusion · compound_name
- MolClass ID
- 44451
- InChIKey
- IUSGMFJDFOALHV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1(C))n4nc2CS(=O)Cc2c4(NC(=O)CCC3CCCCC3)
- Standard InChI
- InChI=1S/C22H29N3O2S/c1-15-7-6-10-20(16(15)2)25-22(18-13-28(27)14-19(18)24-25)23-21(26)12-11-17-8-4-3-5-9-17/h6-7,10,17H,3-5,8-9,11-14H2,1-2H3,(H,23,26)
- Stored Murcko scaffold
- n1c2c(c(N[CH]CCC3CCCCC3)n1-c4ccccc4)CSC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 83.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 399.551 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.876
- 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 · 7971786