Molecule card · MolClass #45749
24837203
24837203: 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
- 24837203Mitochondrial Fusion · compound_name
- MolClass ID
- 45749
- InChIKey
- KTNRXUDLBPCHIP-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCc2nnc(NC(=O)C=1C=CC(=O)N(C)N=1)s2
- Standard InChI
- InChI=1S/C13H17N5O2S/c1-3-4-5-6-10-15-16-13(21-10)14-12(20)9-7-8-11(19)18(2)17-9/h7-8H,3-6H2,1-2H3,(H,14,16,20)
- Stored Murcko scaffold
- n1nc(sc1)N[CH]c2nnccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.557
- 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 · 24837203