Molecule card · MolClass #50400
17513438
17513438: 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
- 17513438Mitochondrial Fusion · compound_name
- MolClass ID
- 50400
- InChIKey
- SVROXXYUUPPUDJ-QPJJXVBHSA-N
- Canonical SMILES
- Cc1ccc(O)c(c1)C(=O)C=Cc2ccc3OCCCOc3(c2)
- Standard InChI
- InChI=1S/C19H18O4/c1-13-3-6-16(20)15(11-13)17(21)7-4-14-5-8-18-19(12-14)23-10-2-9-22-18/h3-8,11-12,20H,2,9-10H2,1H3/b7-4+
- Stored Murcko scaffold
- O1c2ccc(C=C[CH]c3ccccc3)cc2OCCC1
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.
- 17513605#50399
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.345 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.018
- 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 · 17513438