Molecule card · MolClass #40082
14730716
14730716: 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
- 14730716Mitochondrial Fusion · compound_name
- MolClass ID
- 40082
- InChIKey
- QZKBJAYOGSTPSS-UHFFFAOYSA-N
- Canonical SMILES
- CCCc2nc4oc1c(O)ncnc1c4(c3CCCCc23)
- Standard InChI
- InChI=1S/C16H17N3O2/c1-2-5-11-9-6-3-4-7-10(9)12-13-14(21-16(12)19-11)15(20)18-8-17-13/h8H,2-7H2,1H3,(H,17,18,20)
- Stored Murcko scaffold
- n1cnc2c(oc3ncc4c(c32)CCCC4)c1
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.
- 865994#28623
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.326 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.403
- 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 · 14730716