Molecule card · MolClass #40141
24816408
24816408: 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
- 24816408Mitochondrial Fusion · compound_name
- MolClass ID
- 40141
- InChIKey
- XJGPJWCNLUJGOD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)CSC2=NN=C(C)C(=O)N2(N)
- Standard InChI
- InChI=1S/C13H15N5O2S/c1-8-3-5-10(6-4-8)15-11(19)7-21-13-17-16-9(2)12(20)18(13)14/h3-6H,7,14H2,1-2H3,(H,15,19)
- Stored Murcko scaffold
- n1nc(ncc1)SC[CH]Nc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 125.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.285
- 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 · 24816408