Molecule card · MolClass #47101
14743235
14743235: 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
- 14743235Mitochondrial Fusion · compound_name
- MolClass ID
- 47101
- InChIKey
- ZJXZRXHSMSOSNH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(O)c(cc2c3ccccc3(C(=O)Oc12))CN4CCCCC4
- Standard InChI
- InChI=1S/C20H21NO3/c1-13-18(22)14(12-21-9-5-2-6-10-21)11-17-15-7-3-4-8-16(15)20(23)24-19(13)17/h3-4,7-8,11,22H,2,5-6,9-10,12H2,1H3
- Stored Murcko scaffold
- O1[CH]c2ccccc2-c3cc(ccc13)CN4CCCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.386 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.877
- 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 · 14743235