Molecule card · MolClass #48824
24836699
24836699: 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
- 24836699Mitochondrial Fusion · compound_name
- MolClass ID
- 48824
- InChIKey
- MUICBGDNSIMNJI-UHFFFAOYSA-N
- Canonical SMILES
- CC(C(=O)C1=C(N)N(C)C(=O)N(C)C1(=O))Sc3nc2ccccc2s3
- Standard InChI
- InChI=1S/C16H16N4O3S2/c1-8(24-15-18-9-6-4-5-7-10(9)25-15)12(21)11-13(17)19(2)16(23)20(3)14(11)22/h4-8H,17H2,1-3H3
- Stored Murcko scaffold
- n1cncc(c1)[CH]CSc2nc3ccccc3s2
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
- 7
- 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
- 150.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.456 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.104
- 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 · 24836699