Molecule card · MolClass #41174
3712170
3712170: 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
- 3712170Mitochondrial Fusion · compound_name
- MolClass ID
- 41174
- InChIKey
- MHKKBIFMABOWEG-UHFFFAOYSA-N
- Canonical SMILES
- O=C4c5c1CCCCc1sc5(N=C3N4(N=C(C2CC2)S3))
- Standard InChI
- InChI=1S/C14H13N3OS2/c18-13-10-8-3-1-2-4-9(8)19-12(10)15-14-17(13)16-11(20-14)7-5-6-7/h7H,1-6H2
- Stored Murcko scaffold
- N=1c2sc3c(c2[CH]N4N=C(SC14)C5CC5)CCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.405 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.053
- 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 · 3712170