Molecule card · MolClass #44992
17431901
17431901: 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
- 17431901Mitochondrial Fusion · compound_name
- MolClass ID
- 44992
- InChIKey
- CYIZPPRPVXNVMZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc(cc2(OCC(=O)NCCOC(=O)NC1=C(C)N(C)C(=S)S1))Cl
- Standard InChI
- InChI=1S/C17H20ClN3O4S2/c1-10-4-5-12(18)8-13(10)25-9-14(22)19-6-7-24-16(23)20-15-11(2)21(3)17(26)27-15/h4-5,8H,6-7,9H2,1-3H3,(H,19,22)(H,20,23)
- Stored Murcko scaffold
- n1csc(c1)N[CH]OCCN[CH]COc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 137.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 429.944 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.793
- 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 · 17431901