Molecule card · MolClass #37926
14727434
14727434: 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
- 14727434Mitochondrial Fusion · compound_name
- MolClass ID
- 37926
- InChIKey
- QGNIRTPKSCJSJT-UHFFFAOYSA-N
- Canonical SMILES
- O=C1NC(Nc3c1c2CCCCc2s3)c4cccnc4
- Standard InChI
- InChI=1S/C15H15N3OS/c19-14-12-10-5-1-2-6-11(10)20-15(12)18-13(17-14)9-4-3-7-16-8-9/h3-4,7-8,13,18H,1-2,5-6H2,(H,17,19)
- Stored Murcko scaffold
- n1cccc(c1)C2N[CH]c3c(sc4c3CCCC4)N2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.366 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.826
- 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 · 14727434