Molecule card · MolClass #48083
7967878
7967878: 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
- 7967878Mitochondrial Fusion · compound_name
- MolClass ID
- 48083
- InChIKey
- OGOVIHXJQZLDQR-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C(C)Sc3nnc(Cc1cc(O)nc(O)n1)n3(c2cc(C)ccc2(C))
- Standard InChI
- InChI=1S/C19H21N5O4S/c1-10-5-6-11(2)14(7-10)24-15(8-13-9-16(25)21-18(27)20-13)22-23-19(24)29-12(3)17(26)28-4/h5-7,9,12H,8H2,1-4H3,(H2,20,21,25,27)
- Stored Murcko scaffold
- n1nc(n(c1)-c2ccccc2)Cc3ncncc3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 148.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 415.468 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.27
- 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 · 7967878