Molecule card · MolClass #43816
14740581
14740581: 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
- 14740581Mitochondrial Fusion · compound_name
- MolClass ID
- 43816
- InChIKey
- AKQPPAICWFZEKH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)n3nnc2C(=O)N(C=Nc23)CC(=O)c4ccccc4
- Standard InChI
- InChI=1S/C19H15N5O2/c1-13-7-9-15(10-8-13)24-18-17(21-22-24)19(26)23(12-20-18)11-16(25)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
- Stored Murcko scaffold
- n1nn(-c2ccccc2)c3N=CN([CH]c13)C[CH]c4ccccc4
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.
- 7971050#46731
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.668
- 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 · 14740581