Molecule card · MolClass #43830
14746204
14746204: 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
- 14746204Mitochondrial Fusion · compound_name
- MolClass ID
- 43830
- InChIKey
- BKIMAZAMIHCYRZ-UHFFFAOYSA-N
- Canonical SMILES
- Nc2c(nnn2(Cc1ccccc1))C(=O)O
- Standard InChI
- InChI=1S/C10H10N4O2/c11-9-8(10(15)16)12-13-14(9)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H,15,16)
- Stored Murcko scaffold
- n1nn(cc1)Cc2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 218.212 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.402
- 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 · 14746204