Molecule card · MolClass #37808
7970491
7970491: 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
- 7970491Mitochondrial Fusion · compound_name
- MolClass ID
- 37808
- InChIKey
- OEHSZBCETCPURM-UHFFFAOYSA-N
- Canonical SMILES
- COCCNC(=O)c2cc1C(=O)N3C=CC=C(C)C3(=Nc1n2(C))
- Standard InChI
- InChI=1S/C16H18N4O3/c1-10-5-4-7-20-13(10)18-14-11(16(20)22)9-12(19(14)2)15(21)17-6-8-23-3/h4-5,7,9H,6,8H2,1-3H3,(H,17,21)
- Stored Murcko scaffold
- N1=C2C=CC=CN2[CH]c3cc[nH]c13
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.
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.45
- 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 · 7970491