Molecule card · MolClass #51360
14744982
14744982: 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
- 14744982Mitochondrial Fusion · compound_name
- MolClass ID
- 51360
- InChIKey
- CSAMKEFXMCEIOG-UHFFFAOYSA-N
- Canonical SMILES
- c1cc(cc(c1)Cl)NC2=NN=C(CS2)c3ccc4OCCOc4(c3)
- Standard InChI
- InChI=1S/C17H14ClN3O2S/c18-12-2-1-3-13(9-12)19-17-21-20-14(10-24-17)11-4-5-15-16(8-11)23-7-6-22-15/h1-5,8-9H,6-7,10H2,(H,19,21)
- Stored Murcko scaffold
- N=1N=C(c2ccc3OCCOc3c2)CSC1Nc4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.832 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.424
- 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 · 14744982