Molecule card · MolClass #37635
14731898
14731898: 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
- 14731898Mitochondrial Fusion · compound_name
- MolClass ID
- 37635
- InChIKey
- ICRXRMSBNBVACL-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CCCC(O)=C1C3NCCc2ccccc23
- Standard InChI
- InChI=1S/C15H17NO2/c17-12-6-3-7-13(18)14(12)15-11-5-2-1-4-10(11)8-9-16-15/h1-2,4-5,15-17H,3,6-9H2
- Stored Murcko scaffold
- c1ccc2c(c1)CCNC2C=3[CH]CCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.069
- 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 · 14731898