Molecule card · MolClass #47640
7974626
7974626: 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
- 7974626Mitochondrial Fusion · compound_name
- MolClass ID
- 47640
- InChIKey
- MFWNDDVLYZVORA-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1cnn(c1(N))c3ncnc2c3(c(C)c(C)s2)
- Standard InChI
- InChI=1S/C14H15N5O2S/c1-4-21-14(20)9-5-18-19(11(9)15)12-10-7(2)8(3)22-13(10)17-6-16-12/h5-6H,4,15H2,1-3H3
- Stored Murcko scaffold
- n1cnc(c2ccsc12)-n3nccc3
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
- 6
- 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
- 124.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.875
- 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 · 7974626