Molecule card · MolClass #38009
24814518
24814518: 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
- 24814518Mitochondrial Fusion · compound_name
- MolClass ID
- 38009
- InChIKey
- JNUCJGIZYXZFRX-UHFFFAOYSA-N
- Canonical SMILES
- Cc4nnc(SCC=2CSC3C(NC(=O)c1cccc(F)c1(F))C(=O)N3(C=2(C(=O)O)))s4
- Standard InChI
- InChI=1S/C18H14F2N4O4S3/c1-7-22-23-18(31-7)30-6-8-5-29-16-12(15(26)24(16)13(8)17(27)28)21-14(25)9-3-2-4-10(19)11(9)20/h2-4,12,16H,5-6H2,1H3,(H,21,25)(H,27,28)
- Stored Murcko scaffold
- n1nc(sc1)SCC2=CN3[CH]C(N[CH]c4ccccc4)C3SC2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 191.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 484.524 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.646
- 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 · 24814518