Molecule card · MolClass #37647
24825855
24825855: 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
- 24825855Mitochondrial Fusion · compound_name
- MolClass ID
- 37647
- InChIKey
- GIARKVRCQSNJCF-UHFFFAOYSA-N
- Canonical SMILES
- CC1N=C(N)C(=C1(O))c3nc2ccccc2n3(C)
- Standard InChI
- InChI=1S/C13H14N4O/c1-7-11(18)10(12(14)15-7)13-16-8-5-3-4-6-9(8)17(13)2/h3-7,18H,1-2H3,(H2,14,15)
- Stored Murcko scaffold
- N1=CC(=CC1)c2nc3ccccc3[nH]2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.277 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.128
- 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 · 24825855