Molecule card · MolClass #37742
24790018
24790018: 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
- 24790018Mitochondrial Fusion · compound_name
- MolClass ID
- 37742
- InChIKey
- UYNAOHKTVNWMQR-UHFFFAOYSA-N
- Canonical SMILES
- Cc4nn(CC(=O)NC2C(=O)N3C(C(=O)O)=C(CSc1nnc(C)s1)CSC23)c(C)c4Cl
- Standard InChI
- InChI=1S/C18H19ClN6O4S3/c1-7-12(19)8(2)24(23-7)4-11(26)20-13-15(27)25-14(17(28)29)10(5-30-16(13)25)6-31-18-22-21-9(3)32-18/h13,16H,4-6H2,1-3H3,(H,20,26)(H,28,29)
- Stored Murcko scaffold
- n1nc(sc1)SCC2=CN3[CH]C(N[CH]Cn4nccc4)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 209.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 515.033 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.66
- 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 · 24790018