Molecule card · MolClass #52555
24783319
24783319: 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
- 24783319Mitochondrial Fusion · compound_name
- MolClass ID
- 52555
- InChIKey
- UPXSQTKCJWIRJW-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1Cl)NC(N(CCCN2CCCC2)Cc4cccn4(Cc3ccc(cc3)Cl))=S
- Standard InChI
- InChI=1S/C27H32Cl2N4S/c1-21-7-12-24(18-26(21)29)30-27(34)33(17-5-15-31-13-2-3-14-31)20-25-6-4-16-32(25)19-22-8-10-23(28)11-9-22/h4,6-12,16,18H,2-3,5,13-15,17,19-20H2,1H3,(H,30,34)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]N(Cc2cccn2Cc3ccccc3)CCCN4CCCC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 515.543 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.972
- 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 · 24783319