Molecule card · MolClass #43995
24782294
24782294: 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
- 24782294Mitochondrial Fusion · compound_name
- MolClass ID
- 43995
- InChIKey
- VWVUTJFIKUQPBR-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)n4nc1CS(=O)(=O)Cc1c4(NC(=O)c2cc3ccccc3(o2))
- Standard InChI
- InChI=1S/C18H19N3O4S/c1-18(2,3)21-16(12-9-26(23,24)10-13(12)20-21)19-17(22)15-8-11-6-4-5-7-14(11)25-15/h4-8H,9-10H2,1-3H3,(H,19,22)
- Stored Murcko scaffold
- n1[nH]c(N[CH]c2oc3ccccc3c2)c4c1CSC4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.428 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.262
- 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 · 24782294