Molecule card · MolClass #43882
14738236
14738236: 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
- 14738236Mitochondrial Fusion · compound_name
- MolClass ID
- 43882
- InChIKey
- NICWIFFDVCKZGG-UHFFFAOYSA-N
- Canonical SMILES
- CCNC(=O)CC2C(=O)N(C)C(N2(NC(=O)c1ccc(cc1)Cl))=S
- Standard InChI
- InChI=1S/C15H17ClN4O3S/c1-3-17-12(21)8-11-14(23)19(2)15(24)20(11)18-13(22)9-4-6-10(16)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,17,21)(H,18,22)
- Stored Murcko scaffold
- [N]1[CH]N(N[CH]c2ccccc2)C[CH]1
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.84 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.15
- 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 · 14738236