Molecule card · MolClass #38081
24779317
24779317: 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
- 24779317Mitochondrial Fusion · compound_name
- MolClass ID
- 38081
- InChIKey
- BESVHONPPDCMCM-JXMROGBWSA-N
- Canonical SMILES
- O=C3c4nnn(c1ccccc1)c4(N=CN3(CC=Cc2ccccc2))
- Standard InChI
- InChI=1S/C19H15N5O/c25-19-17-18(24(22-21-17)16-11-5-2-6-12-16)20-14-23(19)13-7-10-15-8-3-1-4-9-15/h1-12,14H,13H2/b10-7+
- Stored Murcko scaffold
- n1nn(-c2ccccc2)c3N=CN([CH]c13)CC=Cc4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.182
- 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 · 24779317