Molecule card · MolClass #40067
24819525
24819525: 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
- 24819525Mitochondrial Fusion · compound_name
- MolClass ID
- 40067
- InChIKey
- LWJBOBCDIKRMDV-YDZHTSKRSA-N
- Canonical SMILES
- Cn3c4ccccc4(c(C=NOC(=O)c1cccnc1Cl)c3(N2CCOCC2))
- Standard InChI
- InChI=1S/C20H19ClN4O3/c1-24-17-7-3-2-5-14(17)16(19(24)25-9-11-27-12-10-25)13-23-28-20(26)15-6-4-8-22-18(15)21/h2-8,13H,9-12H2,1H3/b23-13+
- Stored Murcko scaffold
- N(O[CH]c1cnccc1)=Cc2c3ccccc3[nH]c2N4CCOCC4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 398.844 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.398
- 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 · 24819525