Molecule card · MolClass #38966
24811536
24811536: 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
- 24811536Mitochondrial Fusion · compound_name
- MolClass ID
- 38966
- InChIKey
- UATOIQQAKKKGEC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccsc1C3C(C#N)=C(N)N(C=2CCCC(=O)C=23)N(C)C
- Standard InChI
- InChI=1S/C17H20N4OS/c1-10-7-8-23-16(10)14-11(9-18)17(19)21(20(2)3)12-5-4-6-13(22)15(12)14/h7-8,14H,4-6,19H2,1-3H3
- Stored Murcko scaffold
- s1cccc1C2C=CNC3=C2[CH]CCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.434 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.085
- 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 · 24811536