Molecule card · MolClass #40499
17510507
17510507: 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
- 17510507Mitochondrial Fusion · compound_name
- MolClass ID
- 40499
- InChIKey
- NQFDLBLJCDHSGR-UDWIEESQSA-N
- Canonical SMILES
- COc3ccc(C=NCC2OCCc1ccccc12)cc3(OC)
- Standard InChI
- InChI=1S/C19H21NO3/c1-21-17-8-7-14(11-18(17)22-2)12-20-13-19-16-6-4-3-5-15(16)9-10-23-19/h3-8,11-12,19H,9-10,13H2,1-2H3/b20-12+
- Stored Murcko scaffold
- N(=Cc1ccccc1)CC2OCCc3ccccc32
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.
- 17507487#40513
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.957
- 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 · 17510507