Molecule card · MolClass #43775
14736051
14736051: 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
- 14736051Mitochondrial Fusion · compound_name
- MolClass ID
- 43775
- InChIKey
- XTSLVSIRZNMMGB-UHFFFAOYSA-N
- Canonical SMILES
- CC2=CSC3=NC=C(C(=O)NCCc1ccccc1)C(=O)N23
- Standard InChI
- InChI=1S/C16H15N3O2S/c1-11-10-22-16-18-9-13(15(21)19(11)16)14(20)17-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,17,20)
- Stored Murcko scaffold
- N=1C=C([CH]NCCc2ccccc2)[CH]N3C=CSC13
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.
- 7970850#46897
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.751
- 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 · 14736051