Molecule card · MolClass #39815
24811466
24811466: 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
- 24811466Mitochondrial Fusion · compound_name
- MolClass ID
- 39815
- InChIKey
- RGNDVAVSFOQRDN-UHFFFAOYSA-N
- Canonical SMILES
- CCNC(=O)CC2C(=O)N(CC)C(N2(NC(=O)c1cccnc1))=S
- Standard InChI
- InChI=1S/C15H19N5O3S/c1-3-17-12(21)8-11-14(23)19(4-2)15(24)20(11)18-13(22)10-6-5-7-16-9-10/h5-7,9,11H,3-4,8H2,1-2H3,(H,17,21)(H,18,22)
- Stored Murcko scaffold
- n1cccc(c1)[CH]NN2[CH][N][CH]C2
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.41 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.301
- 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 · 24811466