Molecule card · MolClass #51858
14725019
14725019: 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
- 14725019Mitochondrial Fusion · compound_name
- MolClass ID
- 51858
- InChIKey
- YFZPGFZWMANZAE-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)Cn2c(nnc2S)c3cc4ccccc4(o3)
- Standard InChI
- InChI=1S/C17H13N3OS/c22-17-19-18-16(20(17)11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)21-15/h1-10H,11H2,(H,19,22)
- Stored Murcko scaffold
- n1nc(-c2oc3ccccc3c2)n(c1)Cc4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.371 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.46
- 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 · 14725019