Molecule card · MolClass #44679
24806577
24806577: 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
- 24806577Mitochondrial Fusion · compound_name
- MolClass ID
- 44679
- InChIKey
- HRNWUCRQFANYOL-UHFFFAOYSA-N
- Canonical SMILES
- CCN1C(=O)C2=C(NC1=S)c3ccccc3(CC2(C)(C))
- Standard InChI
- InChI=1S/C16H18N2OS/c1-4-18-14(19)12-13(17-15(18)20)11-8-6-5-7-10(11)9-16(12,2)3/h5-8H,4,9H2,1-3H3,(H,17,20)
- Stored Murcko scaffold
- [N]1[CH]NC=2c3ccccc3CCC2[CH]1
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.
- 24789501#26378
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.394 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.519
- 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 · 24806577