Molecule card · MolClass #38362
7966601
7966601: 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
- 7966601Mitochondrial Fusion · compound_name
- MolClass ID
- 38362
- InChIKey
- MLYMVZUFBLWOBR-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCc2c(C1)sc3NC(NC(=O)c23)c4ccc(o4)c5cccc(c5)Cl
- Standard InChI
- InChI=1S/C20H18ClN3O2S/c1-24-8-7-13-16(10-24)27-20-17(13)19(25)22-18(23-20)15-6-5-14(26-15)11-3-2-4-12(21)9-11/h2-6,9,18,23H,7-8,10H2,1H3,(H,22,25)
- Stored Murcko scaffold
- o1c(ccc1C2N[CH]c3c(sc4c3CCNC4)N2)-c5ccccc5
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 399.896 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.118
- 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 · 7966601