Molecule card · MolClass #38490
7977511
7977511: 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
- 7977511Mitochondrial Fusion · compound_name
- MolClass ID
- 38490
- InChIKey
- RLVXSLRIIAXFQH-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c1ccc(o1)c3nc2c4ccccc4(ccn2c3(C(C)=O))
- Standard InChI
- InChI=1S/C19H14N2O3/c1-11(22)15-7-8-16(24-15)17-18(12(2)23)21-10-9-13-5-3-4-6-14(13)19(21)20-17/h3-10H,1-2H3
- Stored Murcko scaffold
- n1c(cn2ccc3ccccc3c12)-c4occc4
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.
- 1940175#17087
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.327 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.695
- 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 · 7977511