Molecule card · MolClass #40548
7972619
7972619: 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
- 7972619Mitochondrial Fusion · compound_name
- MolClass ID
- 40548
- InChIKey
- FIONHKCBFIDMTO-UHFFFAOYSA-N
- Canonical SMILES
- CP(=O)(Oc1ccccc1)N2CCOC2(=O)
- Standard InChI
- InChI=1S/C10H12NO4P/c1-16(13,11-7-8-14-10(11)12)15-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
- Stored Murcko scaffold
- O1[CH]N(POc2ccccc2)CC1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 241.181 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.496
- 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 · 7972619