Molecule card · MolClass #15136
1986064
1986064: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 4257692Mitochondrial Fusion · compound_name
- MolClass ID
- 15136
- InChIKey
- KYHQFPIQWGQKRL-UHFFFAOYSA-N
- Canonical SMILES
- C=CCNc2nc(N)c(C(=O)Nc1cc(C)on1)s2
- Standard InChI
- InChI=1S/C11H13N5O2S/c1-3-4-13-11-15-9(12)8(19-11)10(17)14-7-5-6(2)18-16-7/h3,5H,1,4,12H2,2H3,(H,13,15)(H,14,16,17)
- Stored Murcko scaffold
- n1csc(c1)[CH]Nc2nocc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 134.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.372
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1986064
Mitochondrial Fusion
Dataset #19 · 4257692