Molecule card · MolClass #38791
7965225
7965225: 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
- 7965225Mitochondrial Fusion · compound_name
- MolClass ID
- 38791
- InChIKey
- LJOWWDFDEBVOHW-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C3CC(c2c(cccc2Cl)Cl)n4nc(N)nc4(N3)
- Standard InChI
- InChI=1S/C18H17Cl2N5O/c1-26-11-7-5-10(6-8-11)14-9-15(16-12(19)3-2-4-13(16)20)25-18(22-14)23-17(21)24-25/h2-8,14-15H,9H2,1H3,(H3,21,22,23,24)
- Stored Murcko scaffold
- n1cnn2c1NC(c3ccccc3)CC2c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 390.267 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.541
- 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 · 7965225