Molecule card · MolClass #37425
24835075
24835075: 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
- 24835075Mitochondrial Fusion · compound_name
- MolClass ID
- 37425
- InChIKey
- WWQMLNKAEWFINK-UHFFFAOYSA-N
- Canonical SMILES
- CC2Cc1ccccc1N2C(=O)CSC4=NN3C(=O)C(=NN=C3S4)C(C)(C)C
- Standard InChI
- InChI=1S/C19H21N5O2S2/c1-11-9-12-7-5-6-8-13(12)23(11)14(25)10-27-18-22-24-16(26)15(19(2,3)4)20-21-17(24)28-18/h5-8,11H,9-10H2,1-4H3
- Stored Murcko scaffold
- N=1N=C2SC(=NN2[CH]C1)SC[CH]N3c4ccccc4CC3
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.
- 24826291#29350
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 415.535 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.367
- 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 · 24835075