Molecule card · MolClass #40436
7973801
7973801: 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
- 7973801Mitochondrial Fusion · compound_name
- MolClass ID
- 40436
- InChIKey
- IEJXFBPSOACJDV-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CCCC(O)=C1C3c4ccccc4(OC=2CCCC(=O)C=23)
- Standard InChI
- InChI=1S/C19H18O4/c20-12-6-3-7-13(21)18(12)17-11-5-1-2-9-15(11)23-16-10-4-8-14(22)19(16)17/h1-2,5,9,17,20H,3-4,6-8,10H2
- Stored Murcko scaffold
- O1c2ccccc2C(C=3[CH]CCCC3)C=4[CH]CCCC14
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 63.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.345 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.537
- 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 · 7973801