Molecule card · MolClass #38922
14730317
14730317: 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
- 14730317Mitochondrial Fusion · compound_name
- MolClass ID
- 38922
- InChIKey
- YEHWVZRMZSCGOB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nnc(s1)SC2=C(N)N(C)C(=O)N(C)C2(=O)
- Standard InChI
- InChI=1S/C9H11N5O2S2/c1-4-11-12-8(17-4)18-5-6(10)13(2)9(16)14(3)7(5)15/h10H2,1-3H3
- Stored Murcko scaffold
- n1nc(sc1)Sc2cncnc2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 145.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.377
- 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 · 14730317