Molecule card · MolClass #42464
24820049
24820049: 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
- 24820049Mitochondrial Fusion · compound_name
- MolClass ID
- 42464
- InChIKey
- KWURJTBVNPJIGP-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)COn2c3cc(ccc3(nc2(c1ccccc1)))Cl
- Standard InChI
- InChI=1S/C15H11ClN2O3/c16-11-6-7-12-13(8-11)18(21-9-14(19)20)15(17-12)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)
- Stored Murcko scaffold
- n1c2ccccc2[nH]c1-c3ccccc3
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.
View all molecules with this 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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.713 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.792
- 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 · 24820049