Molecule card · MolClass #49667
24790436
24790436: 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
- 24790436Mitochondrial Fusion · compound_name
- MolClass ID
- 49667
- InChIKey
- QZJMFFIMBRWTJT-UHFFFAOYSA-N
- Canonical SMILES
- CCC(=O)Nc2c(C(N)=O)c(C)c(Cc1ccccc1)s2
- Standard InChI
- InChI=1S/C16H18N2O2S/c1-3-13(19)18-16-14(15(17)20)10(2)12(21-16)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H2,17,20)(H,18,19)
- Stored Murcko scaffold
- s1cccc1Cc2ccccc2
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.
- 24780846#49819
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.393 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.753
- 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 · 24790436