Molecule card · MolClass #40126
14731714
14731714: 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
- 14731714Mitochondrial Fusion · compound_name
- MolClass ID
- 40126
- InChIKey
- MGUFLQMDCPHHFA-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCC(CC1)NC(=O)CN3C(=O)C=C(C=2CCCC=23)c4ccccc4Cl
- Standard InChI
- InChI=1S/C23H27ClN2O2/c1-15-9-11-16(12-10-15)25-22(27)14-26-21-8-4-6-18(21)19(13-23(26)28)17-5-2-3-7-20(17)24/h2-3,5,7,13,15-16H,4,6,8-12,14H2,1H3,(H,25,27)
- Stored Murcko scaffold
- c1ccc(cc1)C2=C[CH]N(C3=C2CCC3)C[CH]NC4CCCCC4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 398.926 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.242
- 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 · 14731714