Molecule card · MolClass #37879
847633
847633: 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
- 847633Mitochondrial Fusion · compound_name
- MolClass ID
- 37879
- InChIKey
- MKBLXMZDJGVPPR-ZSOIEALJSA-N
- Canonical SMILES
- N#CC=C2n3c4ccccc4(nc3(OC12(CCCCC1)))
- Standard InChI
- InChI=1S/C16H15N3O/c17-11-8-14-16(9-4-1-5-10-16)20-15-18-12-6-2-3-7-13(12)19(14)15/h2-3,6-8H,1,4-5,9-10H2/b14-8-
- Stored Murcko scaffold
- n1c2ccccc2n3[CH]C4(Oc13)CCCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.24
- 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 · 847633