Molecule card · MolClass #24580
K060-0097
K060-0097: 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
- K060-0097Compound aggregation · compound_name857423Mitochondrial Fusion · compound_name
- MolClass ID
- 24580
- InChIKey
- AGMIUSUYXCGPJM-RIYZIHGNSA-N
- Canonical SMILES
- Cc1cc(C)n(n1)c3nnc(C)n3(N=Cc2ccco2)
- Standard InChI
- InChI=1S/C13H14N6O/c1-9-7-10(2)18(17-9)13-16-15-11(3)19(13)14-8-12-5-4-6-20-12/h4-8H,1-3H3/b14-8+
- Stored Murcko scaffold
- n1nc(n(N=Cc2occc2)c1)-n3nccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.963
- 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.
Compound aggregation
Dataset #16 · K060-0097
Mitochondrial Fusion
Dataset #19 · 857423