Molecule card · MolClass #46810
14737712
14737712: 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
- 14737712Mitochondrial Fusion · compound_name
- MolClass ID
- 46810
- InChIKey
- LVEFXEWNHXWTFD-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc(CNC(=O)C3=CN(C)C(=O)c2c3(c1ccccc1n2(C)))o4
- Standard InChI
- InChI=1S/C20H19N3O3/c1-12-8-9-13(26-12)10-21-19(24)15-11-22(2)20(25)18-17(15)14-6-4-5-7-16(14)23(18)3/h4-9,11H,10H2,1-3H3,(H,21,24)
- Stored Murcko scaffold
- n1cc([CH]NCc2occc2)c3c(c1)[nH]c4ccccc43
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.361
- 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 · 14737712