Molecule card · MolClass #40120
7964749
7964749: 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
- 7964749Mitochondrial Fusion · compound_name
- MolClass ID
- 40120
- InChIKey
- GZYHJZYTQGNFEL-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc(OC)c(cc1(OC))C3N4CCCC4(C(=O)N3(c2ccc(cc2)Cl))
- Standard InChI
- InChI=1S/C21H23ClN2O4/c1-26-17-12-19(28-3)18(27-2)11-15(17)20-23-10-4-5-16(23)21(25)24(20)14-8-6-13(22)7-9-14/h6-9,11-12,16,20H,4-5,10H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C3N(CCC3)C2c4ccccc4
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.872 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.391
- 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 · 7964749