Molecule card · MolClass #42685
14746900
14746900: 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
- 14746900Mitochondrial Fusion · compound_name
- MolClass ID
- 42685
- InChIKey
- MOYVZFTZEGKHRT-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CSc2nnc1c(cc(cn12)Cl)Cl)NC3CCS(=O)(=O)C3
- Standard InChI
- InChI=1S/C12H12Cl2N4O3S2/c13-7-3-9(14)11-16-17-12(18(11)4-7)22-5-10(19)15-8-1-2-23(20,21)6-8/h3-4,8H,1-2,5-6H2,(H,15,19)
- Stored Murcko scaffold
- n1nc2ccccn2c1SC[CH]NC3CSCC3
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
- 6
- 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
- 127.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.287 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.613
- 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 · 14746900