Molecule card · MolClass #38832
7976128
7976128: 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
- 7976128Mitochondrial Fusion · compound_name
- MolClass ID
- 38832
- InChIKey
- ZQPNQSDBCHRUPH-UHFFFAOYSA-N
- Canonical SMILES
- CCc2cc1C(=O)N(N)C(CCC(=O)O)=Nc1s2
- Standard InChI
- InChI=1S/C11H13N3O3S/c1-2-6-5-7-10(18-6)13-8(3-4-9(15)16)14(12)11(7)17/h5H,2-4,12H2,1H3,(H,15,16)
- Stored Murcko scaffold
- n1cnc2sccc2c1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 124.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.608
- 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 · 7976128