Molecule card · MolClass #39807
17386997
17386997: 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
- 17386997Mitochondrial Fusion · compound_name
- MolClass ID
- 39807
- InChIKey
- RCCOZGPWENYAKD-VQHVLOKHSA-N
- Canonical SMILES
- CCNC3=CC=CC=C(C(=O)C=Cc1ccc2OCOc2(c1))C3(=O)
- Standard InChI
- InChI=1S/C19H17NO4/c1-2-20-15-6-4-3-5-14(19(15)22)16(21)9-7-13-8-10-17-18(11-13)24-12-23-17/h3-11H,2,12H2,1H3,(H,20,22)/b9-7+
- Stored Murcko scaffold
- O1c2ccc(C=C[CH]C=3[CH]C=CC=CC3)cc2OC1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.343 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.697
- 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 · 17386997