Molecule card · MolClass #45996
7972365
7972365: 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
- 7972365Mitochondrial Fusion · compound_name
- MolClass ID
- 45996
- InChIKey
- FLJYDNPGZUQOLY-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C(=Nc1ccccc12)c3ccccc3(N)
- Standard InChI
- InChI=1S/C15H13N3O/c1-18-13-9-5-4-8-12(13)17-14(15(18)19)10-6-2-3-7-11(10)16/h2-9H,16H2,1H3
- Stored Murcko scaffold
- n1cc(nc2ccccc12)-c3ccccc3
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.
- 107027-31-6#3532
- 161697-02-5#6556
- 1523750#13110
- 1919043#13287
- 26670986#30117
- 49665658#31861
- 14730722#41054
- 24790244#46008
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.568
- 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 · 7972365