Molecule card · MolClass #43759
14741354
14741354: 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
- 14741354Mitochondrial Fusion · compound_name
- MolClass ID
- 43759
- InChIKey
- KTGCQUHDEWMLFZ-AEVHBADWSA-N
- Canonical SMILES
- Cc1ccc(cc1)N2C(=O)C3C4OC(C3(C2(=O)))C5C(=NOC45)c6ccc(cc6Cl)Cl
- Standard InChI
- InChI=1S/C22H16Cl2N2O4/c1-9-2-5-11(6-3-9)26-21(27)14-15(22(26)28)19-20-16(18(14)29-19)17(25-30-20)12-7-4-10(23)8-13(12)24/h2-8,14-16,18-20H,1H3/t14-,15+,16-,18-,19+,20-/m0/s1
- Stored Murcko scaffold
- N=1OC2C3OC(C4[CH]N([CH]C34)c5ccccc5)C2C1c6ccccc6
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 443.28 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.677
- 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 · 14741354