Molecule card · MolClass #47613
24834267
24834267: 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
- 24834267Mitochondrial Fusion · compound_name
- MolClass ID
- 47613
- InChIKey
- VMRHKOJLIVPVET-UHFFFAOYSA-N
- Canonical SMILES
- C=C3c4ccccc4(NC(N3(Cc1ccc2OCOc2(c1)))=S)
- Standard InChI
- InChI=1S/C17H14N2O2S/c1-11-13-4-2-3-5-14(13)18-17(22)19(11)9-12-6-7-15-16(8-12)21-10-20-15/h2-8H,1,9-10H2,(H,18,22)
- Stored Murcko scaffold
- O1c2ccc(cc2OC1)CN3[CH]Nc4ccccc4[CH]3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.372 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.336
- 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 · 24834267