Molecule card · MolClass #36652
24791770
24791770: 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
- 24791770Mitochondrial Fusion · compound_name
- MolClass ID
- 36652
- InChIKey
- OEDAHEWFTDTPNZ-UHFFFAOYSA-N
- Canonical SMILES
- N=C2c3c1CCCCc1sc3(N=CN2(N))
- Standard InChI
- InChI=1S/C10H12N4S/c11-9-8-6-3-1-2-4-7(6)15-10(8)13-5-14(9)12/h5,11H,1-4,12H2
- Stored Murcko scaffold
- N1=CN[CH]c2c1sc3c2CCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.296 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.372
- 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 · 24791770