Molecule card · MolClass #48907
24837254
24837254: 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
- 24837254Mitochondrial Fusion · compound_name
- MolClass ID
- 48907
- InChIKey
- RKVIBZJINMZPEH-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)c1ccc(cc1)C=C(c3nc2ccccc2s3)c5nc4ccccc4s5
- Standard InChI
- InChI=1S/C23H14N2O2S2/c26-23(27)15-11-9-14(10-12-15)13-16(21-24-17-5-1-3-7-19(17)28-21)22-25-18-6-2-4-8-20(18)29-22/h1-13H,(H,26,27)
- Stored Murcko scaffold
- n1c(sc2ccccc12)C(=Cc3ccccc3)c4nc5ccccc5s4
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.
- 17516217#50331
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 119.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 414.502 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.791
- 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 · 24837254