Molecule card · MolClass #45906
7976020
7976020: 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
- 7976020Mitochondrial Fusion · compound_name
- MolClass ID
- 45906
- InChIKey
- ZJGXPUBBMGFFPC-CXUHLZMHSA-N
- Canonical SMILES
- O=C2c3ccccc3(C(O)=C2(C=NCC1CCCO1))
- Standard InChI
- InChI=1S/C15H15NO3/c17-14-11-5-1-2-6-12(11)15(18)13(14)9-16-8-10-4-3-7-19-10/h1-2,5-6,9-10,17H,3-4,7-8H2/b16-9+
- Stored Murcko scaffold
- N(=CC=1[CH]c2ccccc2C1)CC3OCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.285 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.92
- 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 · 7976020