Molecule card · MolClass #51514
14739323
14739323: 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
- 14739323Mitochondrial Fusion · compound_name
- MolClass ID
- 51514
- InChIKey
- MSNVTPVXNQSCLH-UNOMPAQXSA-N
- Canonical SMILES
- CCOC(=O)C(=Cc1cccnc1)C(=O)c3cc(C(C)=O)c(Nc2ccccc2)s3
- Standard InChI
- InChI=1S/C23H20N2O4S/c1-3-29-23(28)19(12-16-8-7-11-24-14-16)21(27)20-13-18(15(2)26)22(30-20)25-17-9-5-4-6-10-17/h4-14,25H,3H2,1-2H3/b19-12-
- Stored Murcko scaffold
- n1cccc(c1)C=C[CH]c2sc(cc2)Nc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.483 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.943
- 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 · 14739323