Molecule card · MolClass #48865
4258725
4258725: 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
- 4258725Mitochondrial Fusion · compound_name
- MolClass ID
- 48865
- InChIKey
- DRVATLNPHRFCHG-UHFFFAOYSA-N
- Canonical SMILES
- CN4C(=O)c3c(ncn3(Cc1cc(no1)c2ccccc2))N(C)C4(=O)
- Standard InChI
- InChI=1S/C17H15N5O3/c1-20-15-14(16(23)21(2)17(20)24)22(10-18-15)9-12-8-13(19-25-12)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
- Stored Murcko scaffold
- n1cnc2ncn(c2c1)Cc3onc(c3)-c4ccccc4
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
- 5
- 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
- 84.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.333 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.147
- 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 · 4258725